2-cyclopropyl-8-(1,7-dimethyl-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 736877
• Molecular Formular: C23H29N3O2
• Molecular Mass: 379.49526
• Monoisotopic Mass: 379.22597718
• SMILES: c1(n(c2c(c1)cccc2C)C)C(=O)N1CC2(CN(C(=O)CC2)C2CC2)CCC1
• Canonical SMILES: O=C1CCC2(CN1C1CC1)CCCN(C2)C(=O)c1cc2c(n1C)c(C)ccc2
• InChI: InChI=1S/C23H29N3O2/c1-16-5-3-6-17-13-19(24(2)21(16)17)22(28)25-12-4-10-23(14-25)11-9-20(27)26(15-23)18-7-8-18/h3,5-6,13,18H,4,7-12,14-15H2,1-2H3
• InChIKey: QFKGTARZEALMJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-8-(1,7-dimethyl-1H-indole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-8-(1,7-dimethylindole-2-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-8-[(1,7-dimethyl-1H-indol-2-yl)carbonyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5331137
• LogD (pH = 7.4): 2.5331142
• Log P: 2.5331142
• Molar Refractivity: 110.051 cm^3
• Polarizability: 43.018417 Å^3
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.54
• LOG S: -3.28
• Polar Surface Area: 45.55 Å^2
• Rotatable Bonds: 2