4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide
Chemical Structure Depiction of
4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide
4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide
Compound characteristics
| Compound ID: | K781-1583 |
| Compound Name: | 4-{[2-(diethylamino)-2-oxoethyl]sulfanyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-nitrobenzamide |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C23 H29 N3 O6 S |
| Smiles: | CCN(CC)C(CSc1ccc(cc1[N+]([O-])=O)C(NCCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6999 |
| logD: | 2.6999 |
| logSw: | -3.2529 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.239 |
| InChI Key: | MTSSNERFHDERSD-UHFFFAOYSA-N |