(oxolan-2-yl)methyl 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
(oxolan-2-yl)methyl 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
(oxolan-2-yl)methyl 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: | 3014-4926 |
| Compound Name: | (oxolan-2-yl)methyl 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: | 497.98 |
| Molecular Formula: | C27 H28 Cl N O6 |
| Smiles: | CC1=C(C(C2=COc3ccc(cc3C2=O)[Cl])C2=C(CC(C)(C)CC2=O)N1)C(=O)OCC1CCCO1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8278 |
| logD: | -0.6484 |
| logSw: | -4.2562 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.326 |
| InChI Key: | QBNARLUTKLOSHB-UHFFFAOYSA-N |