{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}(3,5-dimethylpiperidin-1-yl)methanone
Chemical Structure Depiction of
{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}(3,5-dimethylpiperidin-1-yl)methanone
{4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}(3,5-dimethylpiperidin-1-yl)methanone
Compound characteristics
| Compound ID: | K781-2406 |
| Compound Name: | {4-[(4-bromophenyl)sulfanyl]-3-nitrophenyl}(3,5-dimethylpiperidin-1-yl)methanone |
| Molecular Weight: | 449.36 |
| Molecular Formula: | C20 H21 Br N2 O3 S |
| Smiles: | CC1CC(C)CN(C1)C(c1ccc(c(c1)[N+]([O-])=O)Sc1ccc(cc1)[Br])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.0856 |
| logD: | 6.0856 |
| logSw: | -5.4621 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.563 |
| InChI Key: | WQAFCINHHAIVLU-UHFFFAOYSA-N |