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

• ChemBase ID: 355668
• Molecular Formular: C17H23FN2O4S
• Molecular Mass: 370.4389232
• Monoisotopic Mass: 370.13625645
• SMILES: S(=O)(=O)(N1CC2(C(=O)N(CCC2)CCOC)CC1)c1c(F)cccc1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)S(=O)(=O)c1ccccc1F
• InChI: InChI=1S/C17H23FN2O4S/c1-24-12-11-19-9-4-7-17(16(19)21)8-10-20(13-17)25(22,23)15-6-3-2-5-14(15)18/h2-3,5-6H,4,7-13H2,1H3
• InChIKey: LTEMEJUIMADGKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.0742639
• LogD (pH = 7.4): 1.0742642
• Log P: 1.0742642
• Molar Refractivity: 91.8821 cm^3
• Polarizability: 36.076538 Å^3
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.45
• LOG S: -3.14
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4