2-(thiophen-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(thiophen-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(thiophen-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T404-0846 |
| Compound Name: | 2-(thiophen-3-yl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 341.43 |
| Molecular Formula: | C17 H19 N5 O S |
| Smiles: | C1CN(CCN(C1)c1nnc2ccccn12)C(Cc1ccsc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7248 |
| logD: | 1.7247 |
| logSw: | -1.9585 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.12 |
| InChI Key: | IESAOTDQCVRWRJ-UHFFFAOYSA-N |