7-{2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonyl}-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 351475
• Molecular Formular: C15H19NO4S
• Molecular Mass: 309.38066
• Monoisotopic Mass: 309.10347909
• SMILES: c1(c2c(cs1)OCCO2)C(=O)N1CC2(COCC2)CCC1
• Canonical SMILES: O=C(c1scc2c1OCCO2)N1CCCC2(C1)COCC2
• InChI: InChI=1S/C15H19NO4S/c17-14(13-12-11(8-21-13)19-6-7-20-12)16-4-1-2-15(9-16)3-5-18-10-15/h8H,1-7,9-10H2
• InChIKey: RYTULNYCRRSESD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonyl}-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-{2H,3H-thieno[3,4-b][1,4]dioxine-5-carbonyl}-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylcarbonyl)-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1794144
• LogD (pH = 7.4): 1.1794144
• Log P: 1.1794144
• Molar Refractivity: 78.5831 cm^3
• Polarizability: 30.194248 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.92
• LOG S: -3.12
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 1