7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 507656
• Molecular Formular: C23H28FN3O2
• Molecular Mass: 397.4857232
• Monoisotopic Mass: 397.21655537
• SMILES: N1(C(=O)c2nc(ccc2)C)CC2(CN(Cc3c(ccc(c3)OC)F)CCC2)CC1
• Canonical SMILES: COc1ccc(c(c1)CN1CCCC2(C1)CCN(C2)C(=O)c1cccc(n1)C)F
• InChI: InChI=1S/C23H28FN3O2/c1-17-5-3-6-21(25-17)22(28)27-12-10-23(16-27)9-4-11-26(15-23)14-18-13-19(29-2)7-8-20(18)24/h3,5-8,13H,4,9-12,14-16H2,1-2H3
• InChIKey: RWDGMXFBKLPCMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2-fluoro-5-methoxyphenyl)methyl]-2-(6-methylpyridine-2-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-fluoro-5-methoxybenzyl)-2-[(6-methyl-2-pyridinyl)carbonyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.69172573
• LogD (pH = 7.4): 2.3831007
• Log P: 2.8280723
• Molar Refractivity: 111.0662 cm^3
• Polarizability: 42.44404 Å^3
• Polar Surface Area: 45.67 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: 3.13
• LOG S: -3.71
• Polar Surface Area: 45.67 Å^2
• Rotatable Bonds: 3