ethyl 2-[2-(morpholin-4-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(morpholin-4-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(morpholin-4-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2789-1250 |
| Compound Name: | ethyl 2-[2-(morpholin-4-yl)-5-nitrobenzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 459.52 |
| Molecular Formula: | C22 H25 N3 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1cc(ccc1N1CCOCC1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8904 |
| logD: | -1.1702 |
| logSw: | -4.2684 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.24 |
| InChI Key: | ISCZMLBQNMRWNY-UHFFFAOYSA-N |