ethyl 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
ethyl 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate
Compound characteristics
| Compound ID: | D041-0070 |
| Compound Name: | ethyl 2-{2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamido}-1,3-benzothiazole-6-carboxylate |
| Molecular Weight: | 405.45 |
| Molecular Formula: | C16 H15 N5 O4 S2 |
| Smiles: | CCOC(c1ccc2c(c1)sc(NC(CSC1NC(C(C)=NN=1)=O)=O)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9337 |
| logD: | 2.8524 |
| logSw: | -3.3069 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.905 |
| InChI Key: | RVYXZLNCXKMUGX-UHFFFAOYSA-N |