1-{4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-(2-methylphenyl)ethan-1-one
1-{4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | P891-1423 |
| Compound Name: | 1-{4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1,4-diazepan-1-yl}-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 391.47 |
| Molecular Formula: | C22 H25 N5 O2 |
| Smiles: | Cc1ccccc1CC(N1CCCN(CC1)c1c(cccn1)c1nc(C)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4637 |
| logD: | 3.2379 |
| logSw: | -3.453 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.222 |
| InChI Key: | AYUULLZWSUEZLF-UHFFFAOYSA-N |