1-(azepan-1-yl)-3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propan-1-one
1-(azepan-1-yl)-3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propan-1-one
Compound characteristics
| Compound ID: | G729-0959 |
| Compound Name: | 1-(azepan-1-yl)-3-{3-[(4-methylbenzene-1-sulfonyl)methyl]-1,2,4-oxadiazol-5-yl}propan-1-one |
| Molecular Weight: | 391.49 |
| Molecular Formula: | C19 H25 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(Cc1nc(CCC(N2CCCCCC2)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.596 |
| logD: | 2.596 |
| logSw: | -2.93 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.06 |
| InChI Key: | YIYINWHMSIOJEO-UHFFFAOYSA-N |