2-(4-chlorophenyl)-6,6-dimethyl-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Chemical Structure Depiction of
2-(4-chlorophenyl)-6,6-dimethyl-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
2-(4-chlorophenyl)-6,6-dimethyl-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Compound characteristics
| Compound ID: | L120-1500 |
| Compound Name: | 2-(4-chlorophenyl)-6,6-dimethyl-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-6,7-dihydroisoquinoline-3,8(2H,5H)-dione |
| Molecular Weight: | 490.99 |
| Molecular Formula: | C27 H27 Cl N4 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(N2CCN(CC2)c2ccccn2)=O)=O)c2ccc(cc2)[Cl])C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4428 |
| logD: | 3.4339 |
| logSw: | -3.6834 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.614 |
| InChI Key: | KVSOPXCOPOECGC-UHFFFAOYSA-N |