N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Chemical Structure Depiction of
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y042-4080 |
| Compound Name: | N-(5-benzyl-1,3,4-thiadiazol-2-yl)-3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)propanamide |
| Molecular Weight: | 392.44 |
| Molecular Formula: | C19 H16 N6 O2 S |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(Nc1nnc(Cc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0355 |
| logD: | 3.0107 |
| logSw: | -3.7066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.829 |
| InChI Key: | PLVBQXNBUUAETO-UHFFFAOYSA-N |