ethyl 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8008-2725 |
| Compound Name: | ethyl 2-amino-4-(4-bromothiophen-2-yl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 546.44 |
| Molecular Formula: | C24 H24 Br N3 O5 S |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)N(C=1N)c1cccc(c1)[N+]([O-])=O)c1cc(cs1)[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7502 |
| logD: | 4.7502 |
| logSw: | -4.7887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.474 |
| InChI Key: | SPLGWACRTRRFJC-HXUWFJFHSA-N |