3-(2-methylpropoxy)-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-(2-methylpropoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
3-(2-methylpropoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide
Compound characteristics
| Compound ID: | J011-0272 |
| Compound Name: | 3-(2-methylpropoxy)-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}benzamide |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C22 H23 N5 O2 S |
| Smiles: | CC(C)COc1cccc(c1)C(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5332 |
| logD: | 3.5332 |
| logSw: | -3.8103 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.683 |
| InChI Key: | XGQOISSNWAUIQB-UHFFFAOYSA-N |