8-(1,3-thiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

• ChemBase ID: 672682
• Molecular Formular: C11H14N2O3S
• Molecular Mass: 254.30546
• Monoisotopic Mass: 254.07251332
• SMILES: C1(=O)OC2(CCN(Cc3ncsc3)CC2)CO1
• Canonical SMILES: O=C1OCC2(O1)CCN(CC2)Cc1ncsc1
• InChI: InChI=1S/C11H14N2O3S/c14-10-15-7-11(16-10)1-3-13(4-2-11)5-9-6-17-8-12-9/h6,8H,1-5,7H2
• InChIKey: MTWVPUMSWXXXPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(1,3-thiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(1,3-thiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one
• Synonyms: 8-(1,3-thiazol-4-ylmethyl)-1,3-dioxa-8-azaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.7298606
• LogD (pH = 7.4): 0.6382534
• Log P: 0.7856272
• Molar Refractivity: 61.7069 cm^3
• Polarizability: 24.45612 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.29
• LOG S: 0.2
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 2