7-methyl-2-{[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 413041
• Molecular Formular: C17H21N3O5S
• Molecular Mass: 379.43074
• Monoisotopic Mass: 379.12019179
• SMILES: S(=O)(=O)(c1cc(oc1C)c1oncc1)N1CC2(C(=O)N(CCC2)C)CC1
• Canonical SMILES: CN1CCCC2(C1=O)CCN(C2)S(=O)(=O)c1cc(oc1C)c1ccno1
• InChI: InChI=1S/C17H21N3O5S/c1-12-15(10-14(24-12)13-4-7-18-25-13)26(22,23)20-9-6-17(11-20)5-3-8-19(2)16(17)21/h4,7,10H,3,5-6,8-9,11H2,1-2H3
• InChIKey: WPMASJUVAJEERI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-2-{[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-methyl-2-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-ylsulfonyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(5-isoxazol-5-yl-2-methyl-3-furyl)sulfonyl]-7-methyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.17011704
• LogD (pH = 7.4): 0.1701176
• Log P: 0.17011762
• Molar Refractivity: 94.6185 cm^3
• Polarizability: 37.602806 Å^3
• Polar Surface Area: 96.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.17
• LOG S: -2.96
• Polar Surface Area: 96.86 Å^2
• Rotatable Bonds: 2