N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide
Chemical Structure Depiction of
N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide
N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide
Compound characteristics
| Compound ID: | G952-0453 |
| Compound Name: | N-[3-(3-chlorophenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]butanamide |
| Molecular Weight: | 321.79 |
| Molecular Formula: | C13 H12 Cl N5 O S |
| Smiles: | CCCC(Nc1nn2c(c3cccc(c3)[Cl])nnc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2193 |
| logD: | 3.2179 |
| logSw: | -3.6587 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.183 |
| InChI Key: | MXTLRVGDYPDUBV-UHFFFAOYSA-N |