ethyl 2-{4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-0075 |
| Compound Name: | ethyl 2-{4-[3-(3-chlorophenoxy)-5-nitrophenoxy]benzamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 593.05 |
| Molecular Formula: | C30 H25 Cl N2 O7 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(cc1)Oc1cc(cc(c1)Oc1cccc(c1)[Cl])[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.1873 |
| logD: | 4.8563 |
| logSw: | -6.5932 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.675 |
| InChI Key: | MDYHBUOHVPBKKE-UHFFFAOYSA-N |