4-chloro-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Chemical Structure Depiction of
4-chloro-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
4-chloro-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0324 |
| Compound Name: | 4-chloro-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 397.88 |
| Molecular Formula: | C19 H16 Cl N5 O S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3ccc(cc3)[Cl])=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.3952 |
| logD: | 3.395 |
| logSw: | -3.9704 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.383 |
| InChI Key: | NDEUDLLXFTYZIP-UHFFFAOYSA-N |