1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)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-methylphenyl)ethan-1-one
1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | T404-1063 |
| Compound Name: | 1-[4-(6-chloro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]-2-(4-methylphenyl)ethan-1-one |
| Molecular Weight: | 383.88 |
| Molecular Formula: | C20 H22 Cl N5 O |
| Smiles: | Cc1ccc(CC(N2CCCN(CC2)c2nnc3ccc(cn23)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3787 |
| logD: | 3.3787 |
| logSw: | -3.5255 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 40.995 |
| InChI Key: | IQWKJMOZIGFJQA-UHFFFAOYSA-N |