7-[(2,3-difluorophenyl)methyl]-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 644078
• Molecular Formular: C22H25F2N3O
• Molecular Mass: 385.4502064
• Monoisotopic Mass: 385.19656888
• SMILES: N1(C(=O)c2nc(ccc2)C)CC2(CN(Cc3c(c(F)ccc3)F)CCC2)CC1
• Canonical SMILES: Cc1cccc(n1)C(=O)N1CCC2(C1)CCCN(C2)Cc1cccc(c1F)F
• InChI: InChI=1S/C22H25F2N3O/c1-16-5-2-8-19(25-16)21(28)27-12-10-22(15-27)9-4-11-26(14-22)13-17-6-3-7-18(23)20(17)24/h2-3,5-8H,4,9-15H2,1H3
• InChIKey: UICQUJPBRBKOAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-difluorophenyl)methyl]-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2,3-difluorophenyl)methyl]-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,3-difluorobenzyl)-2-[(6-methyl-2-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2859824
• LogD (pH = 7.4): 2.8538198
• Log P: 3.1284456
• Molar Refractivity: 104.8194 cm^3
• Polarizability: 39.602566 Å^3
• Polar Surface Area: 36.44 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: 3.14
• LOG S: -4.24
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 3