N-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]aniline
Chemical Structure Depiction of
N-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]aniline
N-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]aniline
Compound characteristics
| Compound ID: | 0227-0224 |
| Compound Name: | N-[1-(benzylsulfanyl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]aniline |
| Molecular Weight: | 415.72 |
| Molecular Formula: | C17 H13 Cl3 N2 O2 S |
| Smiles: | C(c1ccccc1)SC(=C(\C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)\Nc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.099 |
| logD: | 5.6355 |
| logSw: | -6.2902 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.489 |
| InChI Key: | BKACIYIXRUHGTK-UHFFFAOYSA-N |