3-(pyridin-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[3,4-b][1,3]thiazepine
Chemical Structure Depiction of
3-(pyridin-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[3,4-b][1,3]thiazepine
3-(pyridin-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[3,4-b][1,3]thiazepine
Compound characteristics
| Compound ID: | 8019-7034 |
| Compound Name: | 3-(pyridin-4-yl)-5,6,7,8-tetrahydro[1,2,4]triazolo[3,4-b][1,3]thiazepine |
| Molecular Weight: | 232.3 |
| Molecular Formula: | C11 H12 N4 S |
| Smiles: | C1CCSc2nnc(c3ccncc3)n2C1 |
| Stereo: | ACHIRAL |
| logP: | 1.6872 |
| logD: | 1.6859 |
| logSw: | -1.593 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.584 |
| InChI Key: | KTQZOIVSEDODRY-UHFFFAOYSA-N |