N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide
Compound characteristics
| Compound ID: | K784-1459 |
| Compound Name: | N-(3-methoxyphenyl)-4-{[(4-methoxyphenyl)methyl]sulfanyl}-3-nitrobenzamide |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | COc1ccc(CSc2ccc(cc2[N+]([O-])=O)C(Nc2cccc(c2)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8133 |
| logD: | 4.8067 |
| logSw: | -4.658 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.226 |
| InChI Key: | WJSHAVIPNRQPMP-UHFFFAOYSA-N |