methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]-5-phenyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]-5-phenyl-1,3-thiazole-4-carboxylate
methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]-5-phenyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-5481 |
| Compound Name: | methyl 2-[4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamido]-5-phenyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | COC(c1c(c2ccccc2)sc(NC(CCCN2C(c3ccccc3N=N2)=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2414 |
| logD: | 3.2412 |
| logSw: | -3.696 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.78 |
| InChI Key: | IVSAUFDOZXIKNE-UHFFFAOYSA-N |