2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 2191-2781 |
| Compound Name: | 2-phenylethyl 2,7,7-trimethyl-5-oxo-4-(3-phenoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 507.63 |
| Molecular Formula: | C33 H33 N O4 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1cccc(c1)Oc1ccccc1)C(=O)OCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9672 |
| logD: | 2.6801 |
| logSw: | -5.7628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.445 |
| InChI Key: | VNCBORQHBGONOR-PMERELPUSA-N |