1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(2-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(2-methylphenyl)ethan-1-one
1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(2-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S259-1541 |
| Compound Name: | 1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(2-methylphenyl)ethan-1-one |
| Molecular Weight: | 341.45 |
| Molecular Formula: | C20 H27 N3 O2 |
| Smiles: | Cc1ccccc1CC(N1CCCN(CC1)Cc1c(C)noc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8533 |
| logD: | 0.842 |
| logSw: | -2.9133 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.269 |
| InChI Key: | WZDMFHYWEDQAEZ-UHFFFAOYSA-N |