methyl 5-benzyl-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-benzyl-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-1,3-thiazole-4-carboxylate
methyl 5-benzyl-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-5486 |
| Compound Name: | methyl 5-benzyl-2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | COC(c1c(Cc2ccccc2)sc(NC(CCN2C(c3ccccc3N=N2)=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7269 |
| logD: | 3.706 |
| logSw: | -4.0961 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.78 |
| InChI Key: | JBORNVWUFXTDKW-UHFFFAOYSA-N |