N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]aniline
Chemical Structure Depiction of
N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]aniline
N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]aniline
Compound characteristics
| Compound ID: | 0250-0039 |
| Compound Name: | N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]aniline |
| Molecular Weight: | 401.7 |
| Molecular Formula: | C16 H11 Cl3 N2 O2 S |
| Smiles: | c1ccc(cc1)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)Sc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3351 |
| logD: | 5.5512 |
| logSw: | -6.4206 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.489 |
| InChI Key: | MCSDFYQDURKRBW-UHFFFAOYSA-N |