2-(2,4-difluorobenzenesulfonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 330510
• Molecular Formular: C17H22F2N2O3S
• Molecular Mass: 372.4299864
• Monoisotopic Mass: 372.13192001
• SMILES: S(=O)(=O)(c1c(cc(cc1)F)F)N1CC2(C(=O)N(C(C)C)CCC2)CC1
• Canonical SMILES: Fc1ccc(c(c1)F)S(=O)(=O)N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C17H22F2N2O3S/c1-12(2)21-8-3-6-17(16(21)22)7-9-20(11-17)25(23,24)15-5-4-13(18)10-14(15)19/h4-5,10,12H,3,6-9,11H2,1-2H3
• InChIKey: YOZYEXNZEJMVTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-difluorobenzenesulfonyl)-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2,4-difluorobenzenesulfonyl)-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2,4-difluorophenyl)sulfonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0373242
• LogD (pH = 7.4): 2.0373247
• Log P: 2.0373247
• Molar Refractivity: 90.2224 cm^3
• Polarizability: 35.09783 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.67
• LOG S: -4.19
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 2