methyl 2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-phenyl-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
methyl 2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-phenyl-1,3-thiazole-4-carboxylate
methyl 2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-phenyl-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | Y042-5480 |
| Compound Name: | methyl 2-[3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamido]-5-phenyl-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 435.46 |
| Molecular Formula: | C21 H17 N5 O4 S |
| Smiles: | COC(c1c(c2ccccc2)sc(NC(CCN2C(c3ccccc3N=N2)=O)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4822 |
| logD: | 3.4819 |
| logSw: | -3.8251 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.78 |
| InChI Key: | IVWINHXTRQWYGY-UHFFFAOYSA-N |