chempirical

Sb 590885

C27H27N5O2CAS 405554-55-4453.55 g/mol

Open in Covalent MOL file
NONNOHNHN
EtherOximeTertiary amine

Properties

Molecular formula
C27H27N5O2
Molar mass
453.55 g/mol
Exact mass
453.2165 Da
logP
4.87Crippen estimate
Polar surface area
86.6 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
7

Identifiers

CAS number
405554-55-4
SMILES
CN(C)CCOc1ccc(-c2nc(-c3ccc4c(c3)CCC4=NO)c(-c3ccncc3)[nH]2)cc1
InChIKey
MLSAQOINCGAULQ-UHFFFAOYSA-N
InChI
InChI=1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)

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Names and synonyms

3 names
  • 1H-Inden-1-one, 5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-, oxime
  • 5-[2-[4-[2-(Dimethylamino)ethoxy]phenyl]-5-(4-pyridinyl)-1H-imidazol-4-yl]-2,3-dihydro-1H-inden-1-one oxime
  • SB 590885AAE

Work with Sb 590885

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

4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole152121-30-734 % similar Sb 203580152121-47-633 % similar 4-[2-(Dimethylamino)ethoxy]benzenemethanamine20059-73-832 % similar Itopride122898-67-331 % similar Itopride hydrochloride122892-31-330 % similar

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

Elsewhere

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