N-(2-methoxyphenyl)-4-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-4-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
N-(2-methoxyphenyl)-4-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3300 |
| Compound Name: | N-(2-methoxyphenyl)-4-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C24 H23 N3 O5 S |
| Smiles: | Cc1ccc(CNC(CSc2ccc(cc2[N+]([O-])=O)C(Nc2ccccc2OC)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.496 |
| logD: | 4.4768 |
| logSw: | -4.3625 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.543 |
| InChI Key: | WGZGTZAYDIQBDW-UHFFFAOYSA-N |