3-(benzenesulfonyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]propan-1-one
Chemical Structure Depiction of
3-(benzenesulfonyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]propan-1-one
3-(benzenesulfonyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]propan-1-one
Compound characteristics
| Compound ID: | SA52-0119 |
| Compound Name: | 3-(benzenesulfonyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-4-(2-methylpropyl)-1,4-diazepan-1-yl]propan-1-one |
| Molecular Weight: | 434.56 |
| Molecular Formula: | C21 H30 N4 O4 S |
| Smiles: | CC(C)CN1CCCN(CC1c1nc(C)no1)C(CCS(c1ccccc1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8891 |
| logD: | 1.8578 |
| logSw: | -2.3465 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.622 |
| InChI Key: | IROMZJULHVYRAU-IBGZPJMESA-N |