1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-(3-methylphenoxy)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-methylphenoxy)ethan-1-one
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | SA52-0185 |
| Compound Name: | 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 386.49 |
| Molecular Formula: | C21 H30 N4 O3 |
| Smiles: | CC(C)CN1CCCN(CC1c1nc(C)no1)C(COc1cccc(C)c1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0052 |
| logD: | 2.9713 |
| logSw: | -2.996 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.085 |
| InChI Key: | XZPCVWUDXJYCLY-IBGZPJMESA-N |