N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-methylbutanamide
Chemical Structure Depiction of
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-methylbutanamide
N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-methylbutanamide
Compound characteristics
| Compound ID: | J011-0371 |
| Compound Name: | N-{[4-(3-ethyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methyl}-3-methylbutanamide |
| Molecular Weight: | 343.45 |
| Molecular Formula: | C17 H21 N5 O S |
| Smiles: | CCc1nnc2n1nc(c1ccc(CNC(CC(C)C)=O)cc1)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.5484 |
| logD: | 2.5484 |
| logSw: | -2.7901 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.441 |
| InChI Key: | SHXOKTXBUHZJTR-UHFFFAOYSA-N |