3-(3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(morpholin-4-yl)propan-1-one--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)-1-(morpholin-4-yl)propan-1-one--hydrogen chloride (1/1)
3-(3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(morpholin-4-yl)propan-1-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | E823-0132 |
| Compound Name: | 3-(3-{[4-(5-bromothiophene-2-sulfonyl)piperazin-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-1-(morpholin-4-yl)propan-1-one--hydrogen chloride (1/1) |
| Molecular Weight: | 570.91 |
| Molecular Formula: | C18 H24 Br N5 O5 S2 |
| Salt: | HCl |
| Smiles: | C(Cc1nc(CN2CCN(CC2)S(c2ccc(s2)[Br])(=O)=O)no1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9135 |
| logD: | 0.9132 |
| logSw: | -2.1757 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 93.143 |
| InChI Key: | LJHWCYQMXQLPGL-UHFFFAOYSA-N |