2-[(2-fluoro-4-methoxyphenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 691039
• Molecular Formular: C19H27FN2O3
• Molecular Mass: 350.4276832
• Monoisotopic Mass: 350.20057095
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(Cc2c(cc(cc2)OC)F)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)Cc1ccc(cc1F)OC
• InChI: InChI=1S/C19H27FN2O3/c1-24-11-10-22-8-3-6-19(18(22)23)7-9-21(14-19)13-15-4-5-16(25-2)12-17(15)20/h4-5,12H,3,6-11,13-14H2,1-2H3
• InChIKey: LFJXOGUUFPIIKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-fluoro-4-methoxyphenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(2-fluoro-4-methoxyphenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(2-fluoro-4-methoxybenzyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1286882
• LogD (pH = 7.4): 0.6085279
• Log P: 1.8046068
• Molar Refractivity: 94.9367 cm^3
• Polarizability: 36.592625 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.53
• LOG S: -1.23
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 4