ethyl 2-[4-(4-chlorophenoxy)-3-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[4-(4-chlorophenoxy)-3-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[4-(4-chlorophenoxy)-3-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 0075-0084 |
| Compound Name: | ethyl 2-[4-(4-chlorophenoxy)-3-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 500.96 |
| Molecular Formula: | C24 H21 Cl N2 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(c(c1)[N+]([O-])=O)Oc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8917 |
| logD: | 1.4228 |
| logSw: | -6.2086 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.713 |
| InChI Key: | BVZNEVLHAPZUNB-UHFFFAOYSA-N |