7-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-2-oxa-7-azaspiro[4.5]decane

• ChemBase ID: 791761
• Molecular Formular: C16H25N3O2S
• Molecular Mass: 323.4536
• Monoisotopic Mass: 323.16674806
• SMILES: c1(ncc(s1)CN1CC2(COCC2)CCC1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ncc(s1)CN1CCCC2(C1)COCC2
• InChI: InChI=1S/C16H25N3O2S/c1-2-16(3-7-21-13-16)12-18(4-1)11-14-10-17-15(22-14)19-5-8-20-9-6-19/h10H,1-9,11-13H2
• InChIKey: DNRXYVIXFAWMHE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-2-oxa-7-azaspiro[4.5]decane
• IUPAC Traditional name: 7-{[2-(morpholin-4-yl)-1,3-thiazol-5-yl]methyl}-2-oxa-7-azaspiro[4.5]decane
• Synonyms: 7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-2-oxa-7-azaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.1044418
• LogD (pH = 7.4): 0.6486285
• Log P: 1.7618304
• Molar Refractivity: 88.3756 cm^3
• Polarizability: 33.92601 Å^3
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.63
• LOG S: -2.5
• Polar Surface Area: 37.83 Å^2
• Rotatable Bonds: 3