N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3,4-dimethylbenzamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3,4-dimethylbenzamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3,4-dimethylbenzamide
Compound characteristics
| Compound ID: | J011-0309 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3,4-dimethylbenzamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3ccc(C)c(C)c3)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.7863 |
| logD: | 3.7862 |
| logSw: | -3.8628 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.383 |
| InChI Key: | LDLLTYABOPMOMJ-UHFFFAOYSA-N |