4-[(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Chemical Structure Depiction of
4-[(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
4-[(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3302 |
| Compound Name: | 4-[(2-{[(3,4-dichlorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-N-(2-methoxyphenyl)-3-nitrobenzamide |
| Molecular Weight: | 520.39 |
| Molecular Formula: | C23 H19 Cl2 N3 O5 S |
| Smiles: | COc1ccccc1NC(c1ccc(c(c1)[N+]([O-])=O)SCC(NCc1ccc(c(c1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4317 |
| logD: | 5.4124 |
| logSw: | -5.9408 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.543 |
| InChI Key: | VBYIHMVMPPJCSE-UHFFFAOYSA-N |