ethyl 2-[2-(cyclohexylamino)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(cyclohexylamino)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(cyclohexylamino)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
Compound ID: | 3448-7798 |
Compound Name: | ethyl 2-[2-(cyclohexylamino)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
Molecular Weight: | 471.57 |
Molecular Formula: | C24 H29 N3 O5 S |
Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(ccc1NC1CCCCC1)[N+]([O-])=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.6908 |
logD: | 1.1682 |
logSw: | -5.4028 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 86.442 |
InChI Key: | TXGTXDCUEGBYFD-UHFFFAOYSA-N |