{5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
{5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
{5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | E535-0297 |
| Compound Name: | {5-[(3-methylbenzene-1-sulfinyl)methyl]furan-2-yl}[4-(4-nitrophenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 453.52 |
| Molecular Formula: | C23 H23 N3 O5 S |
| Smiles: | Cc1cccc(c1)S(Cc1ccc(C(N2CCN(CC2)c2ccc(cc2)[N+]([O-])=O)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9925 |
| logD: | 3.9925 |
| logSw: | -4.0341 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.51 |
| InChI Key: | KREXRYCMBUBUOM-UHFFFAOYSA-N |