9-(4-fluoro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 693698
• Molecular Formular: C20H27FN2O3
• Molecular Mass: 362.4383832
• Monoisotopic Mass: 362.20057095
• SMILES: C(=O)(N1CCC2(CN(C(=O)CC2)CCOC)CC1)c1c(cc(cc1)F)C
• Canonical SMILES: COCCN1CC2(CCN(CC2)C(=O)c2ccc(cc2C)F)CCC1=O
• InChI: InChI=1S/C20H27FN2O3/c1-15-13-16(21)3-4-17(15)19(25)22-9-7-20(8-10-22)6-5-18(24)23(14-20)11-12-26-2/h3-4,13H,5-12,14H2,1-2H3
• InChIKey: WHVXJZAJJRKNPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(4-fluoro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(4-fluoro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(4-fluoro-2-methylbenzoyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.764929
• LogD (pH = 7.4): 1.7649294
• Log P: 1.7649294
• Molar Refractivity: 98.393 cm^3
• Polarizability: 37.170086 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.33
• LOG S: -2.98
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4