{5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
{5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | E535-2019 |
| Compound Name: | {5-[(2-chlorobenzene-1-sulfinyl)methyl]furan-2-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 473.93 |
| Molecular Formula: | C22 H20 Cl N3 O5 S |
| Smiles: | C1CN(CCN1C(c1ccc(CS(c2ccccc2[Cl])=O)o1)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7594 |
| logD: | 3.7594 |
| logSw: | -4.0099 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.51 |
| InChI Key: | VEUBVPKHBWJRHZ-UHFFFAOYSA-N |