4-(4-ethylbenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-1,4-diazepane
Chemical Structure Depiction of
4-(4-ethylbenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-1,4-diazepane
4-(4-ethylbenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-1,4-diazepane
Compound characteristics
| Compound ID: | SA52-1162 |
| Compound Name: | 4-(4-ethylbenzene-1-sulfonyl)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(2-methylpropyl)-1,4-diazepane |
| Molecular Weight: | 406.55 |
| Molecular Formula: | C20 H30 N4 O3 S |
| Smiles: | CCc1ccc(cc1)S(N1CCCN(CC(C)C)C(C1)c1nc(C)no1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7751 |
| logD: | 3.7747 |
| logSw: | -3.8335 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.176 |
| InChI Key: | OELRSSDSEVNROD-IBGZPJMESA-N |