3-(4-chlorophenyl)-1-[4-(propane-2-sulfonyl)piperazin-1-yl]-4-(1H-pyrrol-1-yl)butan-1-one
Chemical Structure Depiction of
3-(4-chlorophenyl)-1-[4-(propane-2-sulfonyl)piperazin-1-yl]-4-(1H-pyrrol-1-yl)butan-1-one
3-(4-chlorophenyl)-1-[4-(propane-2-sulfonyl)piperazin-1-yl]-4-(1H-pyrrol-1-yl)butan-1-one
Compound characteristics
| Compound ID: | IB07-5004 |
| Compound Name: | 3-(4-chlorophenyl)-1-[4-(propane-2-sulfonyl)piperazin-1-yl]-4-(1H-pyrrol-1-yl)butan-1-one |
| Molecular Weight: | 437.99 |
| Molecular Formula: | C21 H28 Cl N3 O3 S |
| Smiles: | CC(C)S(N1CCN(CC1)C(CC(Cn1cccc1)c1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.53 |
| logD: | 3.53 |
| logSw: | -3.92 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 85.68 |
| InChI Key: | WHOATXIVQSUQMN-IBGZPJMESA-N |