chempirical

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-dimethylacetamide

C46H45N7O2CAS 503155-67-7727.91 g/mol

Open in Covalent MOL file
NONNNNNON
Amide

Properties

Molecular formula
C46H45N7O2
Molar mass
727.91 g/mol
Exact mass
727.3635 Da
logP
7.73Crippen estimate
Polar surface area
98.8 Ų
H-bond donors / acceptors
0 / 6
Rotatable bonds
13

Hazards

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

Identifiers

CAS number
503155-67-7
SMILES
CCCCC1=NC(=C(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7)CC(=O)N(C)C)C
InChIKey
WPSOLPSHOJWQBJ-UHFFFAOYSA-N
InChI
InChI=1S/C46H45N7O2/c1-5-6-26-42-47-33(2)41(31-43(54)51(3)4)45(55)52(42)32-34-27-29-35(30-28-34)39-24-16-17-25-40(39)44-48-49-50-53(44)46(36-18-10-7-11-19-36,37-20-12-8-13-21-37)38-22-14-9-15-23-38/h7-25,27-30H,5-6,26,31-32H2,1-4H3

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Names and synonyms

1 names
  • 2-Butyl-1,6-dihydro-N,N,4-trimethyl-6-oxo-1-[[2'-[1-(triphenylmethyl)-1H-tetrazol-5-yl][1,1'-biphenyl]-4-yl]methyl]-5-pyrimidineacetamide

Work with 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-dimethylacetamide

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

Fimasartan247257-48-357 % similar Ethyl 4-(2-hydroxypropan-2-yl)-2-propyl-1-((2'-(1-trityl-1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-1H-imidazole-5-carboxylate144690-33-550 % similar 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-one138402-10-548 % similar Tritylolmesartan medoxomil144690-92-647 % similar 5-[4′-(Bromomethyl)[1,1′-biphenyl]-2-yl]-1-(triphenylmethyl)-1H-tetrazole124750-51-242 % similar 2-Butyl-4-chloro-1-[[2′-[2-(triphenylmethyl)-2H-tetrazol-5-yl][1,1′-biphenyl]-4-yl]methyl]-1H-imidazole-5-methanol133909-99-640 % similar Losartan carboxylic acid124750-92-137 % similar Losartan carboxaldehyde114798-36-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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