3-chloro-4-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3-chloro-4-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
3-chloro-4-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0162 |
| Compound Name: | 3-chloro-4-methyl-N-{[4-(3-methyl[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: | Cc1ccc(cc1[Cl])C(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3702 |
| logD: | 3.37 |
| logSw: | -3.7435 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.183 |
| InChI Key: | LKNSEUPUSACEGN-UHFFFAOYSA-N |