N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}-3-(2-oxoimidazolidin-1-yl)benzamide

• ChemBase ID: 396126
• Molecular Formular: C31H33N3O3
• Molecular Mass: 495.61202
• Monoisotopic Mass: 495.25219193
• SMILES: C(=O)(N(Cc1cc(OC2Cc3c(C2)cccc3)ccc1)C1CCCC1)c1cc(N2C(=O)NCC2)ccc1
• Canonical SMILES: O=C1NCCN1c1cccc(c1)C(=O)N(C1CCCC1)Cc1cccc(c1)OC1Cc2c(C1)cccc2
• InChI: InChI=1S/C31H33N3O3/c35-30(25-10-6-13-27(18-25)33-16-15-32-31(33)36)34(26-11-3-4-12-26)21-22-7-5-14-28(17-22)37-29-19-23-8-1-2-9-24(23)20-29/h1-2,5-10,13-14,17-18,26,29H,3-4,11-12,15-16,19-21H2,(H,32,36)
• InChIKey: JXZSVLIQCUSSBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}-3-(2-oxoimidazolidin-1-yl)benzamide
• IUPAC Traditional name: N-cyclopentyl-N-{[3-(2,3-dihydro-1H-inden-2-yloxy)phenyl]methyl}-3-(2-oxoimidazolidin-1-yl)benzamide
• Synonyms: N-cyclopentyl-N-[3-(2,3-dihydro-1H-inden-2-yloxy)benzyl]-3-(2-oxo-1-imidazolidinyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.585186
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 5.1259136
• LogD (pH = 7.4): 5.125914
• Log P: 5.125914
• Molar Refractivity: 144.3495 cm^3
• Polarizability: 55.106354 Å^3
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 5.26
• LOG S: -8.23
• Polar Surface Area: 61.88 Å^2
• Rotatable Bonds: 7