N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Chemical Structure Depiction of
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y042-4081 |
| Compound Name: | N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide |
| Molecular Weight: | 422.46 |
| Molecular Formula: | C20 H18 N6 O3 S |
| Smiles: | COc1ccc(Cc2nnc(NC(CCN3C(c4ccccc4N=N3)=O)=O)s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0179 |
| logD: | 2.9931 |
| logSw: | -3.6861 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.373 |
| InChI Key: | UERSQSVQANHQGI-UHFFFAOYSA-N |