2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline
Chemical Structure Depiction of
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline
Compound characteristics
| Compound ID: | D036-1730 |
| Compound Name: | 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}quinoline |
| Molecular Weight: | 350.32 |
| Molecular Formula: | C16 H9 F3 N2 O2 S |
| Smiles: | c1ccc2c(c1)ccc(n2)Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.7713 |
| logD: | 5.7713 |
| logSw: | -6.8212 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.739 |
| InChI Key: | ACLFXSMGWFAOEC-UHFFFAOYSA-N |