1-(azepan-1-yl)-3-(3-{[4-(4-bromobenzene-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-bromobenzene-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-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0139 |
| Compound Name: | 1-(azepan-1-yl)-3-(3-{[4-(4-bromobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 576.94 |
| Molecular Formula: | C22 H30 Br N5 O4 S |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)C(CCc1nc(CN2CCN(CC2)S(c2ccc(cc2)[Br])(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8733 |
| logD: | 2.8731 |
| logSw: | -3.2558 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.547 |
| InChI Key: | AHDRTIGNEITQKE-UHFFFAOYSA-N |