N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 615281
• Molecular Formular: C16H26N4O2S
• Molecular Mass: 338.46824
• Monoisotopic Mass: 338.17764709
• SMILES: C(=O)(C1NCC2(C1)CCNCC2)N(Cc1nccs1)CCOC
• Canonical SMILES: COCCN(C(=O)C1NCC2(C1)CCNCC2)Cc1nccs1
• InChI: InChI=1S/C16H26N4O2S/c1-22-8-7-20(11-14-18-6-9-23-14)15(21)13-10-16(12-19-13)2-4-17-5-3-16/h6,9,13,17,19H,2-5,7-8,10-12H2,1H3
• InChIKey: NEJLFDGGRWCEMH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-N-(1,3-thiazol-2-ylmethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 5
• H Donor: 2
• Log P: 0.74
• LOG S: -2.3
• Polar Surface Area: 66.49 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -6.887553
• LogD (pH = 7.4): -5.6246524
• Log P: -0.4442456
• Molar Refractivity: 89.9713 cm^3
• Polarizability: 35.566006 Å^3
• Polar Surface Area: 66.49 Å^2
• Rotatable Bonds: 6