7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 693679
• Molecular Formular: C16H23F3N2O2
• Molecular Mass: 332.3612296
• Monoisotopic Mass: 332.17116265
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)CCC(F)(F)F)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)CCC(F)(F)F
• InChI: InChI=1S/C16H23F3N2O2/c17-16(18,19)6-4-13(22)21-9-7-15(11-21)5-1-8-20(14(15)23)10-12-2-3-12/h12H,1-11H2
• InChIKey: NKISSBWQPLKVBQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclopropylmethyl)-2-(4,4,4-trifluorobutanoyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4848148
• LogD (pH = 7.4): 1.4848162
• Log P: 1.4848162
• Molar Refractivity: 78.8254 cm^3
• Polarizability: 29.810843 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.88
• LOG S: -3.23
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5