2-(4-methylphenyl)-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-(4-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
2-(4-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T404-0801 |
| Compound Name: | 2-(4-methylphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1,4-diazepan-1-yl]ethan-1-one |
| Molecular Weight: | 349.43 |
| Molecular Formula: | C20 H23 N5 O |
| Smiles: | Cc1ccc(CC(N2CCCN(CC2)c2nnc3ccccn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.3967 |
| logD: | 2.3966 |
| logSw: | -2.3365 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.102 |
| InChI Key: | RBQNWUHNETZQAM-UHFFFAOYSA-N |