3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
Chemical Structure Depiction of
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
Compound characteristics
| Compound ID: | Y042-4435 |
| Compound Name: | 3-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C20 H18 N6 O2 S |
| Smiles: | C(CN1C(c2ccccc2N=N1)=O)C(Nc1nnc(CCc2ccccc2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5626 |
| logD: | 3.4671 |
| logSw: | -3.8355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.829 |
| InChI Key: | HYEIMIBRDJJFRA-UHFFFAOYSA-N |