ethyl 2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8007-4870 |
| Compound Name: | ethyl 2-amino-4-(5-bromothiophen-2-yl)-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 518.38 |
| Molecular Formula: | C22 H20 Br N3 O5 S |
| Smiles: | CCOC(C1C(C2=C(CCCC2=O)N(C=1N)c1ccc(cc1)[N+]([O-])=O)c1ccc(s1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1938 |
| logD: | 4.1938 |
| logSw: | -4.3394 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.474 |
| InChI Key: | WXVHRODFTDGIFX-LJQANCHMSA-N |