1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)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-(4-methoxyphenyl)ethan-1-one
1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | T404-1058 |
| Compound Name: | 1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 399.88 |
| Molecular Formula: | C20 H22 Cl N5 O2 |
| Smiles: | COc1ccc(CC(N2CCCN(CC2)c2nnc3ccc(cn23)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.9377 |
| logD: | 2.9377 |
| logSw: | -3.3698 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.538 |
| InChI Key: | FFNQKSXZXQIARO-UHFFFAOYSA-N |