ethyl 2-{[2,2,2-trichloro-1-(3-nitrobenzamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[2,2,2-trichloro-1-(3-nitrobenzamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[2,2,2-trichloro-1-(3-nitrobenzamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1501-0731 |
| Compound Name: | ethyl 2-{[2,2,2-trichloro-1-(3-nitrobenzamido)ethyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 520.82 |
| Molecular Formula: | C20 H20 Cl3 N3 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C([Cl])([Cl])[Cl])NC(c1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2293 |
| logD: | 4.2328 |
| logSw: | -5.8545 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.3 |
| InChI Key: | QOYDQIOVIFWNGT-IBGZPJMESA-N |