propan-2-yl 2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

• ChemBase ID: 660045
• Molecular Formular: C19H24F2N2O3
• Molecular Mass: 366.4022664
• Monoisotopic Mass: 366.17549908
• SMILES: N1(C(=O)CC2(C1)CCN(C(=O)OC(C)C)CC2)Cc1cc(c(cc1)F)F
• Canonical SMILES: CC(OC(=O)N1CCC2(CC1)CC(=O)N(C2)Cc1ccc(c(c1)F)F)C
• InChI: InChI=1S/C19H24F2N2O3/c1-13(2)26-18(25)22-7-5-19(6-8-22)10-17(24)23(12-19)11-14-3-4-15(20)16(21)9-14/h3-4,9,13H,5-8,10-12H2,1-2H3
• InChIKey: RSYNROHMBITQKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propan-2-yl 2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
• IUPAC Traditional name: isopropyl 2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
• Synonyms: isopropyl 2-(3,4-difluorobenzyl)-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2595894
• LogD (pH = 7.4): 2.2595897
• Log P: 2.2595897
• Molar Refractivity: 92.6568 cm^3
• Polarizability: 35.360287 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: 2.34
• LOG S: -3.87
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4