N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutanamide
Chemical Structure Depiction of
N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutanamide
N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutanamide
Compound characteristics
| Compound ID: | E157-4285 |
| Compound Name: | N-(3-butyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methylbutanamide |
| Molecular Weight: | 281.38 |
| Molecular Formula: | C12 H19 N5 O S |
| Smiles: | CCCCc1nnc2n1nc(NC(CC(C)C)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.5316 |
| logD: | 2.4934 |
| logSw: | -2.7267 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.431 |
| InChI Key: | CMADCURSTWBWQH-UHFFFAOYSA-N |