N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide
Compound characteristics
Compound ID: | C700-0791 |
Compound Name: | N-[2-(2,5-dimethoxyphenyl)ethyl]-2-[(2-nitrothiophen-3-yl)sulfanyl]acetamide |
Molecular Weight: | 382.46 |
Molecular Formula: | C16 H18 N2 O5 S2 |
Smiles: | COc1ccc(c(CCNC(CSc2ccsc2[N+]([O-])=O)=O)c1)OC |
Stereo: | ACHIRAL |
logP: | 2.6435 |
logD: | 2.6435 |
logSw: | -3.0269 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 73.904 |
InChI Key: | CJJAXTFTTHKZKP-UHFFFAOYSA-N |