N,N-dimethyl-3-[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

• ChemBase ID: 530871
• Molecular Formular: C15H16N4O3S
• Molecular Mass: 332.37754
• Monoisotopic Mass: 332.09431139
• SMILES: c1(nc(no1)CN1c2c(SCC1=O)cc(cc2)C)C(=O)N(C)C
• Canonical SMILES: Cc1ccc2c(c1)SCC(=O)N2Cc1noc(n1)C(=O)N(C)C
• InChI: InChI=1S/C15H16N4O3S/c1-9-4-5-10-11(6-9)23-8-13(20)19(10)7-12-16-14(22-17-12)15(21)18(2)3/h4-6H,7-8H2,1-3H3
• InChIKey: DLYVHKMGGGLONV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-3-[(7-methyl-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
• IUPAC Traditional name: N,N-dimethyl-3-[(7-methyl-3-oxo-2H-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
• Synonyms: N,N-dimethyl-3-[(7-methyl-3-oxo-2,3-dihydro-4H-1,4-benzothiazin-4-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.3330625
• LogD (pH = 7.4): 1.3330625
• Log P: 1.3330625
• Molar Refractivity: 88.5139 cm^3
• Polarizability: 32.450993 Å^3
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.17
• LOG S: -2.62
• Polar Surface Area: 79.54 Å^2
• Rotatable Bonds: 3