1-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]piperidine
Chemical Structure Depiction of
1-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]piperidine
1-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]piperidine
Compound characteristics
| Compound ID: | 0051-4527 |
| Compound Name: | 1-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]piperidine |
| Molecular Weight: | 393.72 |
| Molecular Formula: | C15 H15 Cl3 N2 O2 S |
| Smiles: | C1CCN(CC1)/C(=C(\C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0312 |
| logD: | 6.0312 |
| logSw: | -6.2186 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.299 |
| InChI Key: | NSXJBTFGLJLMOV-UHFFFAOYSA-N |