4-bromo-N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]aniline
Chemical Structure Depiction of
4-bromo-N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]aniline
4-bromo-N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]aniline
Compound characteristics
| Compound ID: | 2641-1604 |
| Compound Name: | 4-bromo-N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]aniline |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C16 H10 Br Cl3 N2 O2 S |
| Smiles: | c1ccc(cc1)SC(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)\Nc1ccc(cc1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 7.3607 |
| logD: | 4.8566 |
| logSw: | -6.7086 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.489 |
| InChI Key: | QLYHFXLEEKHQNA-UHFFFAOYSA-N |