N-[3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Chemical Structure Depiction of
N-[3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
N-[3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide
Compound characteristics
| Compound ID: | E157-3182 |
| Compound Name: | N-[3-(propan-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]benzamide |
| Molecular Weight: | 287.34 |
| Molecular Formula: | C13 H13 N5 O S |
| Smiles: | CC(C)c1nnc2n1nc(NC(c1ccccc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.3579 |
| logD: | 2.0145 |
| logSw: | -2.9473 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.397 |
| InChI Key: | BVFRHYPSTRDUOD-UHFFFAOYSA-N |