N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
Chemical Structure Depiction of
N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | J011-0215 |
| Compound Name: | N-{[4-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}propanamide |
| Molecular Weight: | 301.37 |
| Molecular Formula: | C14 H15 N5 O S |
| Smiles: | CCC(NCc1ccc(cc1)c1nn2c(C)nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1616 |
| logD: | 1.1616 |
| logSw: | -2.2312 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.242 |
| InChI Key: | LYIULLMOCZYRGJ-UHFFFAOYSA-N |