4-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
4-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3299 |
| Compound Name: | 4-{[2-(benzylamino)-2-oxoethyl]sulfanyl}-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C23 H21 N3 O5 S |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0727 |
| logD: | 4.0534 |
| logSw: | -4.2348 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.543 |
| InChI Key: | JAGKPVSHYVIHOQ-UHFFFAOYSA-N |