N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C700-0947 |
| Compound Name: | N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 382.46 |
| Molecular Formula: | C16 H18 N2 O5 S2 |
| Smiles: | COc1ccc(CCNC(CSc2ccsc2[N+]([O-])=O)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 2.5781 |
| logD: | 2.5781 |
| logSw: | -2.9162 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.904 |
| InChI Key: | YNAXYFYEHPXECK-UHFFFAOYSA-N |