4-tert-butyl-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-tert-butyl-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
4-tert-butyl-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0313 |
| Compound Name: | 4-tert-butyl-N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 419.55 |
| Molecular Formula: | C23 H25 N5 O S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(c3ccc(cc3)C(C)(C)C)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5949 |
| logD: | 4.5949 |
| logSw: | -4.2956 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.383 |
| InChI Key: | PBXSYPTZWDOWCJ-UHFFFAOYSA-N |