methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 1630-1211 |
| Compound Name: | methyl 4-(3-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 376.25 |
| Molecular Formula: | C18 H18 Br N O3 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1cccc(c1)[Br])C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6171 |
| logD: | -0.2787 |
| logSw: | -3.7714 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.095 |
| InChI Key: | ATOCIHLBILOHPL-INIZCTEOSA-N |