9-[(1-methyl-1H-indol-2-yl)methyl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 857661
• Molecular Formular: C24H33N3O2
• Molecular Mass: 395.53772
• Monoisotopic Mass: 395.25727731
• SMILES: c1(n(c2c(c1)cccc2)C)CN1CCC2(CN(C(=O)CC2)CC2OCCC2)CC1
• Canonical SMILES: O=C1CCC2(CN1CC1CCCO1)CCN(CC2)Cc1cc2c(n1C)cccc2
• InChI: InChI=1S/C24H33N3O2/c1-25-20(15-19-5-2-3-7-22(19)25)16-26-12-10-24(11-13-26)9-8-23(28)27(18-24)17-21-6-4-14-29-21/h2-3,5,7,15,21H,4,6,8-14,16-18H2,1H3
• InChIKey: BHQWPVJCBDJRNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(1-methyl-1H-indol-2-yl)methyl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-[(1-methylindol-2-yl)methyl]-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-[(1-methyl-1H-indol-2-yl)methyl]-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.68518704
• LogD (pH = 7.4): 0.95355433
• Log P: 2.4602141
• Molar Refractivity: 115.8782 cm^3
• Polarizability: 46.170986 Å^3
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.28
• LOG S: -4.03
• Polar Surface Area: 37.71 Å^2
• Rotatable Bonds: 4