N-(4-ethoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
N-(4-ethoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | K784-1455 |
| Compound Name: | N-(4-ethoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C23 H22 N2 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(c1ccc(c(c1)[N+]([O-])=O)SCc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1159 |
| logD: | 5.1144 |
| logSw: | -4.9859 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.806 |
| InChI Key: | KZIWIKLFJYUMHB-UHFFFAOYSA-N |