3,5-dimethyl-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Chemical Structure Depiction of
3,5-dimethyl-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
3,5-dimethyl-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0462 |
| Compound Name: | 3,5-dimethyl-N-{[4-(3-propyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 405.52 |
| Molecular Formula: | C22 H23 N5 O S |
| Smiles: | CCCc1nnc2n1nc(c1ccc(CNC(c3cc(C)cc(C)c3)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1979 |
| logD: | 4.1977 |
| logSw: | -4.2032 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.383 |
| InChI Key: | KWUTYDIQUHFSIS-UHFFFAOYSA-N |