4-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
4-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3289 |
| Compound Name: | 4-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 443.52 |
| Molecular Formula: | C22 H25 N3 O5 S |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(NC1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2873 |
| logD: | 4.268 |
| logSw: | -4.3525 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.268 |
| InChI Key: | VAKXUKWYIWJJTF-UHFFFAOYSA-N |