N-(6-methoxy-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

• ChemBase ID: 837911
• Molecular Formular: C17H19N5O3S
• Molecular Mass: 373.42946
• Monoisotopic Mass: 373.12086049
• SMILES: C(=O)(N1C(c2nccs2)CCCC1)Nc1cc2[nH]c(=O)[nH]c2cc1OC
• Canonical SMILES: COc1cc2[nH]c(=O)[nH]c2cc1NC(=O)N1CCCCC1c1nccs1
• InChI: InChI=1S/C17H19N5O3S/c1-25-14-9-11-10(19-16(23)20-11)8-12(14)21-17(24)22-6-3-2-4-13(22)15-18-5-7-26-15/h5,7-9,13H,2-4,6H2,1H3,(H,21,24)(H2,19,20,23)
• InChIKey: DTZABBPOGUYIMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxy-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(6-methoxy-2-oxo-1,3-dihydro-1,3-benzodiazol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
• Synonyms: N-(6-methoxy-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.68998
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.857845
• LogD (pH = 7.4): 1.8579866
• Log P: 1.8580098
• Molar Refractivity: 100.8264 cm^3
• Polarizability: 36.40549 Å^3
• Polar Surface Area: 95.59 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 1.9
• LOG S: -3.54
• Polar Surface Area: 103.11 Å^2
• Rotatable Bonds: 3