2-(4-fluorophenyl)-6,6-dimethyl-4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Chemical Structure Depiction of
2-(4-fluorophenyl)-6,6-dimethyl-4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
2-(4-fluorophenyl)-6,6-dimethyl-4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Compound characteristics
| Compound ID: | L120-0921 |
| Compound Name: | 2-(4-fluorophenyl)-6,6-dimethyl-4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)-6,7-dihydroisoquinoline-3,8(2H,5H)-dione |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C29 H27 F N2 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(N2CCC(=CC2)c2ccccc2)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.11 |
| logD: | 4.11 |
| logSw: | -4.2606 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.571 |
| InChI Key: | NKZNSBIMGUZQBA-UHFFFAOYSA-N |