2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
Chemical Structure Depiction of
2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | J011-0220 |
| Compound Name: | 2-methyl-N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide |
| Molecular Weight: | 315.39 |
| Molecular Formula: | C15 H17 N5 O S |
| Smiles: | CC(C)C(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3261 |
| logD: | 1.3261 |
| logSw: | -2.1541 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.455 |
| InChI Key: | NMMQJSURRSZCMK-UHFFFAOYSA-N |