7-(dimethyl-1,3-thiazole-5-carbonyl)-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 419974
• Molecular Formular: C14H20N2O2S
• Molecular Mass: 280.3858
• Monoisotopic Mass: 280.12454889
• SMILES: c1(C(=O)N2CC3(COCC3)CCC2)c(nc(s1)C)C
• Canonical SMILES: Cc1nc(c(s1)C(=O)N1CCCC2(C1)COCC2)C
• InChI: InChI=1S/C14H20N2O2S/c1-10-12(19-11(2)15-10)13(17)16-6-3-4-14(8-16)5-7-18-9-14/h3-9H2,1-2H3
• InChIKey: FZNZPUCUWJGPRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(dimethyl-1,3-thiazole-5-carbonyl)-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-(dimethyl-1,3-thiazole-5-carbonyl)-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.79897803
• LogD (pH = 7.4): 0.7990665
• Log P: 0.7990676
• Molar Refractivity: 74.7605 cm^3
• Polarizability: 28.488188 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.27
• LOG S: -3.1
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 1