1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
Chemical Structure Depiction of
1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one
Compound characteristics
| Compound ID: | T404-1047 |
| Compound Name: | 1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(thiophen-2-yl)ethan-1-one |
| Molecular Weight: | 375.88 |
| Molecular Formula: | C17 H18 Cl N5 O S |
| Smiles: | C1CN(CCN(C1)c1nnc2ccc(cn12)[Cl])C(Cc1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5065 |
| logD: | 2.5065 |
| logSw: | -2.8136 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.013 |
| InChI Key: | QJQKUUVSLUTNLZ-UHFFFAOYSA-N |