N-(2-ethylphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-ethylphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
N-(2-ethylphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | K784-1452 |
| Compound Name: | N-(2-ethylphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C23 H22 N2 O4 S |
| Smiles: | CCc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4447 |
| logD: | 5.4442 |
| logSw: | -5.3043 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.985 |
| InChI Key: | VKXHLNHDCGRMFC-UHFFFAOYSA-N |