2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-N-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-N-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-N-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | 8010-4620 |
| Compound Name: | 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-N-[2-(pyrrolidin-1-yl)-5-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 493.43 |
| Molecular Formula: | C20 H17 F6 N3 O3 S |
| Smiles: | C1CCN(C1)c1ccc(cc1NC(CSc1ccc(cc1[N+]([O-])=O)C(F)(F)F)=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.9163 |
| logD: | 5.6184 |
| logSw: | -6.1104 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.016 |
| InChI Key: | BDIUBPSZLKZHCS-UHFFFAOYSA-N |