2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Chemical Structure Depiction of
2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-0045 |
| Compound Name: | 2-{[1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}-6-phenyl-4-(trifluoromethyl)pyridine-3-carbonitrile |
| Molecular Weight: | 532.34 |
| Molecular Formula: | C23 H13 Br F3 N3 O2 S |
| Smiles: | C1C(C(N(C1=O)c1ccc(cc1)[Br])=O)Sc1c(C#N)c(cc(c2ccccc2)n1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7363 |
| logD: | 5.7363 |
| logSw: | -5.9378 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.689 |
| InChI Key: | CKTVGHSEPCZJQC-LJQANCHMSA-N |