1-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)-4-(4-methylbenzene-1-sulfonyl)piperazine
Chemical Structure Depiction of
1-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)-4-(4-methylbenzene-1-sulfonyl)piperazine
1-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)-4-(4-methylbenzene-1-sulfonyl)piperazine
Compound characteristics
| Compound ID: | 8014-0454 |
| Compound Name: | 1-(3-{[(furan-2-yl)methyl]sulfanyl}-4-nitrophenyl)-4-(4-methylbenzene-1-sulfonyl)piperazine |
| Molecular Weight: | 473.57 |
| Molecular Formula: | C22 H23 N3 O5 S2 |
| Smiles: | Cc1ccc(cc1)S(N1CCN(CC1)c1ccc(c(c1)SCc1ccco1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6068 |
| logD: | 4.6068 |
| logSw: | -4.4818 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 75.768 |
| InChI Key: | OTYYQQJBIFFTEI-UHFFFAOYSA-N |