ethyl 2-{[5-(3-nitrophenyl)furan-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[5-(3-nitrophenyl)furan-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[5-(3-nitrophenyl)furan-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 2275-0013 |
| Compound Name: | ethyl 2-{[5-(3-nitrophenyl)furan-2-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C22 H20 N2 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(c1ccc(c2cccc(c2)[N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2845 |
| logD: | 2.6724 |
| logSw: | -5.2141 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.579 |
| InChI Key: | UAXKJEBDWAPALP-UHFFFAOYSA-N |