N-(3,5-difluorophenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(3,5-difluorophenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
N-(3,5-difluorophenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | K784-1466 |
| Compound Name: | N-(3,5-difluorophenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C21 H16 F2 N2 O4 S |
| Smiles: | COc1ccc(CSc2ccc(cc2[N+]([O-])=O)C(Nc2cc(cc(c2)F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.2093 |
| logD: | 4.1963 |
| logSw: | -5.0706 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.682 |
| InChI Key: | JKSSDCBIGCHVJU-UHFFFAOYSA-N |