7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 612506
• Molecular Formular: C17H22N4O3S
• Molecular Mass: 362.44658
• Monoisotopic Mass: 362.14126158
• SMILES: S(=O)(=O)(N1CC2(CNCC2)CCC1)c1cc(c2nc(on2)C)ccc1
• Canonical SMILES: Cc1onc(n1)c1cccc(c1)S(=O)(=O)N1CCCC2(C1)CNCC2
• InChI: InChI=1S/C17H22N4O3S/c1-13-19-16(20-24-13)14-4-2-5-15(10-14)25(22,23)21-9-3-6-17(12-21)7-8-18-11-17/h2,4-5,10,18H,3,6-9,11-12H2,1H3
• InChIKey: WYLCKUWNEHOUTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzenesulfonyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-{[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl}-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.7009059
• LogD (pH = 7.4): -1.5135751
• Log P: 1.6651963
• Molar Refractivity: 105.9641 cm^3
• Polarizability: 37.577824 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.25
• LOG S: -2.76
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 2