2-Butyl-3-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

C44H42N6OCAS 138402-10-5670.86 g/mol

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NONNNNN
AmideAmidineLactam

Properties

Molecular formula
C44H42N6O
Molar mass
670.86 g/mol
Exact mass
670.3420 Da
logP
9.09Crippen estimate
Polar surface area
76.3 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
11

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
138402-10-5
SMILES
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIKey
IPEZQBALWLNRGH-UHFFFAOYSA-N
InChI
InChI=1S/C44H42N6O/c1-2-3-25-40-45-43(30-15-16-31-43)42(51)49(40)32-33-26-28-34(29-27-33)38-23-13-14-24-39(38)41-46-47-48-50(41)44(35-17-7-4-8-18-35,36-19-9-5-10-20-36)37-21-11-6-12-22-37/h4-14,17-24,26-29H,2-3,15-16,25,30-32H2,1H3

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Names and synonyms

2 names
  • 1,3-Diazaspiro[4.4]non-1-en-4-one, 2-butyl-3-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-
  • 2-Butyl-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

Work with 2-Butyl-3-[[2′-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1,3-diazaspiro[4.4]non-1-en-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Irbesartan138402-11-664 % similar 4'-((2-Butyl-4-oxo-1,3-diazaspiro(4.4)non-1-ene-3-yl)methyl)(1,1'-biphenyl)-2-carbonitrile138401-24-862 % similar 5-[4′-(Bromomethyl)[1,1′-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole124750-51-249 % similar 2-(2-Butyl-4-methyl-6-oxo-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1,6-dihydropyrimidin-5-yl)-N,N-dimethylacetamide503155-67-748 % similar Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate144690-33-543 % similar Triphyl valsartan195435-23-540 % similar Tritylolmesartan medoxomil144690-92-638 % similar Valsartan137862-53-432 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

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