[4-(2,5-dimethylphenyl)piperazin-1-yl](3-nitro-4-{[(pyridin-3-yl)methyl]sulfanyl}phenyl)methanone
Chemical Structure Depiction of
[4-(2,5-dimethylphenyl)piperazin-1-yl](3-nitro-4-{[(pyridin-3-yl)methyl]sulfanyl}phenyl)methanone
[4-(2,5-dimethylphenyl)piperazin-1-yl](3-nitro-4-{[(pyridin-3-yl)methyl]sulfanyl}phenyl)methanone
Compound characteristics
| Compound ID: | K672-0182 |
| Compound Name: | [4-(2,5-dimethylphenyl)piperazin-1-yl](3-nitro-4-{[(pyridin-3-yl)methyl]sulfanyl}phenyl)methanone |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | Cc1ccc(C)c(c1)N1CCN(CC1)C(c1ccc(c(c1)[N+]([O-])=O)SCc1cccnc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5427 |
| logD: | 4.4984 |
| logSw: | -4.1429 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.173 |
| InChI Key: | XDCWBQPWJIUKBM-UHFFFAOYSA-N |