4-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
4-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K781-3188 |
| Compound Name: | 4-({2-[(2-methoxyethyl)amino]-2-oxoethyl}sulfanyl)-3-nitro-N-[2-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 457.43 |
| Molecular Formula: | C19 H18 F3 N3 O5 S |
| Smiles: | COCCNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1C(F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1692 |
| logD: | 3.168 |
| logSw: | -3.8343 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.368 |
| InChI Key: | JYCHFERVJSTSKX-UHFFFAOYSA-N |