N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]quinolin-8-amine
Chemical Structure Depiction of
N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]quinolin-8-amine
N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]quinolin-8-amine
Compound characteristics
| Compound ID: | 4872-0139 |
| Compound Name: | N-[3,4,4-trichloro-2-nitro-1-(phenylsulfanyl)buta-1,3-dien-1-yl]quinolin-8-amine |
| Molecular Weight: | 452.74 |
| Molecular Formula: | C19 H12 Cl3 N3 O2 S |
| Smiles: | c1ccc(cc1)SC(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)\Nc1cccc2cccnc12 |
| Stereo: | ACHIRAL |
| logP: | 6.9342 |
| logD: | 5.3582 |
| logSw: | -6.7836 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.325 |
| InChI Key: | GSKGGZVXUKWQGF-UHFFFAOYSA-N |