2-[2-(2-chloro-6-fluorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 704912
• Molecular Formular: C20H24ClFN2O2
• Molecular Mass: 378.8681632
• Monoisotopic Mass: 378.15103392
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)Cc2c(F)cccc2Cl)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)Cc1c(F)cccc1Cl
• InChI: InChI=1S/C20H24ClFN2O2/c21-16-3-1-4-17(22)15(16)11-18(25)24-10-8-20(13-24)7-2-9-23(19(20)26)12-14-5-6-14/h1,3-4,14H,2,5-13H2
• InChIKey: DWSKBIUDDRCUJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(2-chloro-6-fluorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(2-chloro-6-fluorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2-chloro-6-fluorophenyl)acetyl]-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7306352
• LogD (pH = 7.4): 2.7306366
• Log P: 2.7306366
• Molar Refractivity: 98.5573 cm^3
• Polarizability: 37.92939 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.61
• LOG S: -4.19
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4