2-(2-chloro-6-fluorophenyl)-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-(2-chloro-6-fluorophenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(2-chloro-6-fluorophenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T404-0852 |
| Compound Name: | 2-(2-chloro-6-fluorophenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 387.84 |
| Molecular Formula: | C19 H19 Cl F N5 O |
| Smiles: | C1CN(CCN(C1)c1nnc2ccccn12)C(Cc1c(cccc1[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6351 |
| logD: | 2.635 |
| logSw: | -3.2884 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.102 |
| InChI Key: | HNUSOTVPJBXZII-UHFFFAOYSA-N |