7-cyclopentyl-2-(4-fluorobenzenesulfonyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 404082
• Molecular Formular: C19H25FN2O3S
• Molecular Mass: 380.4768032
• Monoisotopic Mass: 380.15699189
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(C3CCCC3)CCC2)CC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)S(=O)(=O)N1CCC2(C1)CCCN(C2=O)C1CCCC1
• InChI: InChI=1S/C19H25FN2O3S/c20-15-6-8-17(9-7-15)26(24,25)21-13-11-19(14-21)10-3-12-22(18(19)23)16-4-1-2-5-16/h6-9,16H,1-5,10-14H2
• InChIKey: NKSVDOOVFGHBGN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclopentyl-2-(4-fluorobenzenesulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclopentyl-2-(4-fluorobenzenesulfonyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclopentyl-2-[(4-fluorophenyl)sulfonyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4759398
• LogD (pH = 7.4): 2.4759417
• Log P: 2.4759417
• Molar Refractivity: 97.2518 cm^3
• Polarizability: 38.283607 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: 3.44
• LOG S: -4.91
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 2