1-(azepan-1-yl)-3-(3-{[4-(5-bromothiophene-2-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-(5-bromothiophene-2-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-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0147 |
| Compound Name: | 1-(azepan-1-yl)-3-(3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 582.97 |
| Molecular Formula: | C20 H28 Br N5 O4 S2 |
| Salt: | HCl |
| Smiles: | C1CCCN(CC1)C(CCc1nc(CN2CCN(CC2)S(c2ccc(s2)[Br])(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5681 |
| logD: | 2.5678 |
| logSw: | -2.7507 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 85.565 |
| InChI Key: | AQKGNXKBFPVDGZ-UHFFFAOYSA-N |