2-phenylethyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Chemical Structure Depiction of
2-phenylethyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2-phenylethyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Compound characteristics
| Compound ID: | 3004-4886 |
| Compound Name: | 2-phenylethyl 4-(6-chloro-4-oxo-4H-1-benzopyran-3-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate |
| Molecular Weight: | 518.01 |
| Molecular Formula: | C30 H28 Cl N O5 |
| Smiles: | CC1=C(C(C2=COc3ccc(cc3C2=O)[Cl])C2=C(CC(C)(C)CC2=O)N1)C(=O)OCCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7588 |
| logD: | 1.2827 |
| logSw: | -5.8369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.591 |
| InChI Key: | VUFUHKILPSQTCU-SANMLTNESA-N |