2-cyclopropyl-8-[(1-ethyl-1H-indol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 614553
• Molecular Formular: C23H31N3O
• Molecular Mass: 365.51174
• Monoisotopic Mass: 365.24671263
• SMILES: N1(C(=O)CCC2(C1)CN(Cc1c3ccn(c3ccc1)CC)CCC2)C1CC1
• Canonical SMILES: CCn1ccc2c1cccc2CN1CCCC2(C1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C23H31N3O/c1-2-25-14-10-20-18(5-3-6-21(20)25)15-24-13-4-11-23(16-24)12-9-22(27)26(17-23)19-7-8-19/h3,5-6,10,14,19H,2,4,7-9,11-13,15-17H2,1H3
• InChIKey: OWHJJSIWYZCMOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-8-[(1-ethyl-1H-indol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-8-[(1-ethylindol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-8-[(1-ethyl-1H-indol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.24135917
• LogD (pH = 7.4): 1.155184
• Log P: 3.0999038
• Molar Refractivity: 109.5518 cm^3
• Polarizability: 43.65968 Å^3
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.3
• LOG S: -4.68
• Polar Surface Area: 28.48 Å^2
• Rotatable Bonds: 4