1-(azepan-1-yl)-3-(3-{[4-(propane-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-(propane-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-(propane-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0136 |
| Compound Name: | 1-(azepan-1-yl)-3-(3-{[4-(propane-1-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 464.03 |
| Molecular Formula: | C19 H33 N5 O4 S |
| Salt: | HCl |
| Smiles: | CCCS(N1CCN(CC1)Cc1nc(CCC(N2CCCCCC2)=O)on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0207 |
| logD: | 1.0205 |
| logSw: | -1.4983 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 84.713 |
| InChI Key: | JDWXMPHCPMJDGT-UHFFFAOYSA-N |