4-ethyl-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-ethyl-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
4-ethyl-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0311 |
| Compound Name: | 4-ethyl-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C21 H21 N5 O S |
| Smiles: | CCc1ccc(cc1)C(NCc1ccc(cc1)c1nn2c(CC)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7311 |
| logD: | 3.7311 |
| logSw: | -3.9165 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.383 |
| InChI Key: | KLXVYPQBCGMNHA-UHFFFAOYSA-N |