8-(3,5-difluoropyridine-2-carbonyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 399639
• Molecular Formular: C18H23F2N3O3
• Molecular Mass: 367.3903264
• Monoisotopic Mass: 367.17074805
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)c1ncc(cc1F)F)CC2)C(CCC)C
• Canonical SMILES: CCCC(N1CC2(OC1=O)CCN(CC2)C(=O)c1ncc(cc1F)F)C
• InChI: InChI=1S/C18H23F2N3O3/c1-3-4-12(2)23-11-18(26-17(23)25)5-7-22(8-6-18)16(24)15-14(20)9-13(19)10-21-15/h9-10,12H,3-8,11H2,1-2H3
• InChIKey: FBUWQXLWPLNGBM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3,5-difluoropyridine-2-carbonyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(3,5-difluoropyridine-2-carbonyl)-3-(pentan-2-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-[(3,5-difluoropyridin-2-yl)carbonyl]-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0905294
• LogD (pH = 7.4): 2.0905294
• Log P: 2.0905294
• Molar Refractivity: 90.3926 cm^3
• Polarizability: 34.333515 Å^3
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.6
• LOG S: -3.25
• Polar Surface Area: 62.74 Å^2
• Rotatable Bonds: 4