4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Chemical Structure Depiction of
4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide
Compound characteristics
| Compound ID: | K784-1464 |
| Compound Name: | 4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitro-N-[4-(trifluoromethyl)phenyl]benzamide |
| Molecular Weight: | 462.45 |
| Molecular Formula: | C22 H17 F3 N2 O4 S |
| Smiles: | COc1ccc(CSc2ccc(cc2[N+]([O-])=O)C(Nc2ccc(cc2)C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6197 |
| logD: | 5.6187 |
| logSw: | -5.3896 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.682 |
| InChI Key: | IJOQTEFLSKQRAY-UHFFFAOYSA-N |