3-(3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-cyclohexyl-N-methylpropanamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
3-(3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-cyclohexyl-N-methylpropanamide--hydrogen chloride (1/1)
3-(3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-cyclohexyl-N-methylpropanamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0042 |
| Compound Name: | 3-(3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-N-cyclohexyl-N-methylpropanamide--hydrogen chloride (1/1) |
| Molecular Weight: | 596.99 |
| Molecular Formula: | C21 H30 Br N5 O4 S2 |
| Salt: | HCl |
| Smiles: | CN(C1CCCCC1)C(CCc1nc(CN2CCN(CC2)S(c2ccc(s2)[Br])(=O)=O)no1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9402 |
| logD: | 2.9399 |
| logSw: | -3.1748 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.788 |
| InChI Key: | DRRPLBRXUAOVRZ-UHFFFAOYSA-N |