ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 8008-1229 |
| Compound Name: | ethyl 2-amino-1-(4-bromophenyl)-4-(5-tert-butylthiophen-2-yl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 557.55 |
| Molecular Formula: | C28 H33 Br N2 O3 S |
| Smiles: | CCOC(C1C(C2=C(CC(C)(C)CC2=O)N(C=1N)c1ccc(cc1)[Br])c1ccc(C(C)(C)C)s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6453 |
| logD: | 6.6453 |
| logSw: | -5.7216 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.093 |
| InChI Key: | OUIJYYGJDCISQR-QHCPKHFHSA-N |