methyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
methyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
methyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 5991-0017 |
| Compound Name: | methyl 4-[4-(methoxycarbonyl)phenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C20 H21 N O5 |
| Smiles: | CC1=C(C(C2=C(CCCC2=O)N1)c1ccc(cc1)C(=O)OC)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8693 |
| logD: | -1.0265 |
| logSw: | -3.4094 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.269 |
| InChI Key: | OUTDMSLBYKDQIA-KRWDZBQOSA-N |