7-{thieno[3,2-d]pyrimidin-4-yl}-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 437854
• Molecular Formular: C14H17N3OS
• Molecular Mass: 275.36928
• Monoisotopic Mass: 275.10923318
• SMILES: c1(c2sccc2ncn1)N1CC2(COCC2)CCC1
• Canonical SMILES: C1CN(CC2(C1)COCC2)c1ncnc2c1scc2
• InChI: InChI=1S/C14H17N3OS/c1-3-14(4-6-18-9-14)8-17(5-1)13-12-11(2-7-19-12)15-10-16-13/h2,7,10H,1,3-6,8-9H2
• InChIKey: SSRBJOYQWBXGFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{thieno[3,2-d]pyrimidin-4-yl}-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-{thieno[3,2-d]pyrimidin-4-yl}-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-thieno[3,2-d]pyrimidin-4-yl-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4889014
• LogD (pH = 7.4): 2.4961805
• Log P: 2.4962742
• Molar Refractivity: 76.2385 cm^3
• Polarizability: 29.816721 Å^3
• Polar Surface Area: 38.25 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: 2.7
• LOG S: -4.18
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 1