7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 372037
• Molecular Formular: C19H24F2N2O
• Molecular Mass: 334.4034664
• Monoisotopic Mass: 334.18566984
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(Cc2c(ccc(c2)F)F)CC1
• Canonical SMILES: Fc1ccc(c(c1)CN1CCC2(C1)CCCN(C2=O)CC1CC1)F
• InChI: InChI=1S/C19H24F2N2O/c20-16-4-5-17(21)15(10-16)12-22-9-7-19(13-22)6-1-8-23(18(19)24)11-14-2-3-14/h4-5,10,14H,1-3,6-9,11-13H2
• InChIKey: UJLCETPVZKYFHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-[(2,5-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-(2,5-difluorobenzyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.2561416
• LogD (pH = 7.4): 2.0297327
• Log P: 2.9325328
• Molar Refractivity: 89.5884 cm^3
• Polarizability: 34.15986 Å^3
• Polar Surface Area: 23.55 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: 2.94
• LOG S: -4.15
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4