2-[5-(ethylsulfanyl)thiophene-2-carbonyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 632521
• Molecular Formular: C18H26N2O2S2
• Molecular Mass: 366.54124
• Monoisotopic Mass: 366.14357008
• SMILES: C12(C(=O)N(C(C)C)CCC2)CN(C(=O)c2sc(cc2)SCC)CC1
• Canonical SMILES: CCSc1ccc(s1)C(=O)N1CCC2(C1)CCCN(C2=O)C(C)C
• InChI: InChI=1S/C18H26N2O2S2/c1-4-23-15-7-6-14(24-15)16(21)19-11-9-18(12-19)8-5-10-20(13(2)3)17(18)22/h6-7,13H,4-5,8-12H2,1-3H3
• InChIKey: JWHFUDLAHDHYJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[5-(ethylsulfanyl)thiophene-2-carbonyl]-7-(propan-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[5-(ethylsulfanyl)thiophene-2-carbonyl]-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-{[5-(ethylthio)-2-thienyl]carbonyl}-7-isopropyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.9566543
• LogD (pH = 7.4): 2.9566548
• Log P: 2.9566548
• Molar Refractivity: 100.3166 cm^3
• Polarizability: 38.60248 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.1
• LOG S: -4.52
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4