1-(azepan-1-yl)-3-(3-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
1-(azepan-1-yl)-3-(3-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
1-(azepan-1-yl)-3-(3-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0140 |
| Compound Name: | 1-(azepan-1-yl)-3-(3-{[4-(4-chlorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 532.49 |
| Molecular Formula: | C22 H30 Cl N5 O4 S |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)C(CCc1nc(CN2CCN(CC2)S(c2ccc(cc2)[Cl])(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6341 |
| logD: | 2.6339 |
| logSw: | -3.3386 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.547 |
| InChI Key: | WIDQHEVZLQEVRP-UHFFFAOYSA-N |