1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one
1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | S259-1468 |
| Compound Name: | 1-{4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl}-2-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 357.45 |
| Molecular Formula: | C20 H27 N3 O3 |
| Smiles: | Cc1c(CN2CCCN(CC2)C(Cc2ccc(cc2)OC)=O)c(C)on1 |
| Stereo: | ACHIRAL |
| logP: | 2.0788 |
| logD: | 0.0675 |
| logSw: | -2.3944 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.813 |
| InChI Key: | TUHILEZIWKEVQE-UHFFFAOYSA-N |