2-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(3-chloro-4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T404-0872 |
| Compound Name: | 2-(3-chloro-4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C20 H22 Cl N5 O2 |
| Smiles: | COc1ccc(CC(N2CCCN(CC2)c2nnc3ccccn23)=O)cc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.3723 |
| logD: | 2.3722 |
| logSw: | -2.9789 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.732 |
| InChI Key: | ZDOOEZMKYZXFLR-UHFFFAOYSA-N |