4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
Chemical Structure Depiction of
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide
Compound characteristics
| Compound ID: | Y042-4437 |
| Compound Name: | 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]butanamide |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C21 H20 N6 O2 S |
| Smiles: | C(CC(Nc1nnc(CCc2ccccc2)s1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3218 |
| logD: | 3.2397 |
| logSw: | -3.8146 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.829 |
| InChI Key: | RZBFCLIWZGROJQ-UHFFFAOYSA-N |