1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-(3-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-(3-methylphenyl)ethan-1-one
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | SA52-0211 |
| Compound Name: | 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 370.49 |
| Molecular Formula: | C21 H30 N4 O2 |
| Smiles: | CC(C)CN1CCCN(CC1c1nc(C)no1)C(Cc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7042 |
| logD: | 3.6675 |
| logSw: | -3.8576 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 51.586 |
| InChI Key: | ZLMQRPBBRKZDJP-IBGZPJMESA-N |