methyl 5-(2-methylpropyl)-2-[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-(2-methylpropyl)-2-[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]-1,3-thiazole-4-carboxylate
methyl 5-(2-methylpropyl)-2-[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-5332 |
| Compound Name: | methyl 5-(2-methylpropyl)-2-[2-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)acetamido]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C18 H19 N5 O4 S |
| Smiles: | CC(C)Cc1c(C(=O)OC)nc(NC(CN2C(c3ccccc3N=N2)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.5233 |
| logD: | 3.5044 |
| logSw: | -3.8765 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.073 |
| InChI Key: | FMQVUSZPVAXZST-UHFFFAOYSA-N |