benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-0340 |
| Compound Name: | benzyl 4-(2-iodophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 527.4 |
| Molecular Formula: | C26 H26 I N O3 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccccc1I)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7374 |
| logD: | 1.8709 |
| logSw: | -5.6028 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.779 |
| InChI Key: | MUSBNDGAKWCFSP-QHCPKHFHSA-N |