2-cyclopropyl-9-(ethanesulfonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 702061
• Molecular Formular: C20H28N2O3S
• Molecular Mass: 376.51292
• Monoisotopic Mass: 376.18206377
• SMILES: N1(C(=O)C(CC2(C1)CCN(S(=O)(=O)CC)CC2)c1ccccc1)C1CC1
• Canonical SMILES: CCS(=O)(=O)N1CCC2(CC1)CN(C1CC1)C(=O)C(C2)c1ccccc1
• InChI: InChI=1S/C20H28N2O3S/c1-2-26(24,25)21-12-10-20(11-13-21)14-18(16-6-4-3-5-7-16)19(23)22(15-20)17-8-9-17/h3-7,17-18H,2,8-15H2,1H3
• InChIKey: BYRXPAPYIDERAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-9-(ethanesulfonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-9-(ethanesulfonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-9-(ethylsulfonyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4479977
• LogD (pH = 7.4): 1.4479979
• Log P: 1.4479979
• Molar Refractivity: 101.7755 cm^3
• Polarizability: 40.44822 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.55
• LOG S: -4.12
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 3