7-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one

• ChemBase ID: 464724
• Molecular Formular: C19H22N2O2S
• Molecular Mass: 342.45518
• Monoisotopic Mass: 342.14019895
• SMILES: n1c(csc1CCN1C(=O)CCC2(C1)COCC2)c1ccccc1
• Canonical SMILES: O=C1CCC2(CN1CCc1scc(n1)c1ccccc1)COCC2
• InChI: InChI=1S/C19H22N2O2S/c22-18-6-8-19(9-11-23-14-19)13-21(18)10-7-17-20-16(12-24-17)15-4-2-1-3-5-15/h1-5,12H,6-11,13-14H2
• InChIKey: RWGKYHMKQZPQGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• IUPAC Traditional name: 7-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one
• Synonyms: 7-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-oxa-7-azaspiro[4.5]decan-8-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.446916
• LogD (pH = 7.4): 2.4469519
• Log P: 2.4469523
• Molar Refractivity: 94.0312 cm^3
• Polarizability: 37.905823 Å^3
• Polar Surface Area: 42.43 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: 2.77
• LOG S: -4.55
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 4