4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3214 |
| Compound Name: | 4-[(2-{[(2-chlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 485.94 |
| Molecular Formula: | C23 H20 Cl N3 O5 S |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8547 |
| logD: | 4.8354 |
| logSw: | -5.0104 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.543 |
| InChI Key: | YIJWDPNBUBIYSI-UHFFFAOYSA-N |