4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-fluorophenyl)-6,6-dimethyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Chemical Structure Depiction of
4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-fluorophenyl)-6,6-dimethyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-fluorophenyl)-6,6-dimethyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Compound characteristics
| Compound ID: | L120-0917 |
| Compound Name: | 4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-(4-fluorophenyl)-6,6-dimethyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C27 H25 F N2 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(N2CCc3ccccc3C2)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4435 |
| logD: | 3.4435 |
| logSw: | -3.5573 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.505 |
| InChI Key: | KACVSMMNYVRCRH-UHFFFAOYSA-N |