ethyl (2-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]benzamido}-1,3-thiazol-4-yl)acetate
Chemical Structure Depiction of
ethyl (2-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]benzamido}-1,3-thiazol-4-yl)acetate
ethyl (2-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]benzamido}-1,3-thiazol-4-yl)acetate
Compound characteristics
| Compound ID: | Y042-5499 |
| Compound Name: | ethyl (2-{4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]benzamido}-1,3-thiazol-4-yl)acetate |
| Molecular Weight: | 449.49 |
| Molecular Formula: | C22 H19 N5 O4 S |
| Smiles: | CCOC(Cc1csc(NC(c2ccc(CN3C(c4ccccc4N=N3)=O)cc2)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5939 |
| logD: | 3.5104 |
| logSw: | -3.8809 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.724 |
| InChI Key: | XTFQQKJSBAFSRR-UHFFFAOYSA-N |