N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide
N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | C755-0447 |
| Compound Name: | N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]propanamide |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C19 H24 N2 O5 S2 |
| Smiles: | CCOc1ccc(CCNC(C(C)Sc2ccsc2[N+]([O-])=O)=O)cc1OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0596 |
| logD: | 3.0596 |
| logSw: | -3.4044 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.364 |
| InChI Key: | LGKGHDWDTDZHLI-ZDUSSCGKSA-N |