methyl 4-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-1,3-thiazole-5-carboxylate
Chemical Structure Depiction of
methyl 4-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-1,3-thiazole-5-carboxylate
methyl 4-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-1,3-thiazole-5-carboxylate
Compound characteristics
| Compound ID: | Y042-5740 |
| Compound Name: | methyl 4-methyl-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-1,3-thiazole-5-carboxylate |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C16 H15 N5 O4 S |
| Smiles: | Cc1c(C(=O)OC)sc(NC(CCN2C(c3ccccc3N=N2)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1193 |
| logD: | 2.0304 |
| logSw: | -3.0219 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.857 |
| InChI Key: | JCLWWABLKGLIIF-UHFFFAOYSA-N |