8-(5-fluoro-2-methoxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 513153
• Molecular Formular: C20H27FN2O4
• Molecular Mass: 378.4377832
• Monoisotopic Mass: 378.19548557
• SMILES: C(=O)(c1c(ccc(c1)F)OC)N1CC2(CN(C(=O)CC2)CCOC)CCC1
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)c2cc(F)ccc2OC)CCC1=O
• InChI: InChI=1S/C20H27FN2O4/c1-26-11-10-22-13-20(8-6-18(22)24)7-3-9-23(14-20)19(25)16-12-15(21)4-5-17(16)27-2/h4-5,12H,3,6-11,13-14H2,1-2H3
• InChIKey: OOQGXLPKTUNUJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(5-fluoro-2-methoxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(5-fluoro-2-methoxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(5-fluoro-2-methoxybenzoyl)-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2497439
• LogD (pH = 7.4): 1.2497442
• Log P: 1.2497442
• Molar Refractivity: 99.661 cm^3
• Polarizability: 37.959534 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.38
• LOG S: -3.14
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5