N-(2-methoxyphenyl)-4-[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-4-[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
N-(2-methoxyphenyl)-4-[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-3282 |
| Compound Name: | N-(2-methoxyphenyl)-4-[(2-{[(2-methoxyphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-3-nitrobenzamide |
| Molecular Weight: | 481.53 |
| Molecular Formula: | C24 H23 N3 O6 S |
| Smiles: | COc1ccccc1CNC(CSc1ccc(cc1[N+]([O-])=O)C(Nc1ccccc1OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.294 |
| logD: | 4.2747 |
| logSw: | -4.3689 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.173 |
| InChI Key: | TVDMIBXJHOTRLN-UHFFFAOYSA-N |