4-(4-benzylpiperazine-1-carbonyl)-6,6-dimethyl-2-phenyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Chemical Structure Depiction of
4-(4-benzylpiperazine-1-carbonyl)-6,6-dimethyl-2-phenyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
4-(4-benzylpiperazine-1-carbonyl)-6,6-dimethyl-2-phenyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione
Compound characteristics
| Compound ID: | L120-1265 |
| Compound Name: | 4-(4-benzylpiperazine-1-carbonyl)-6,6-dimethyl-2-phenyl-6,7-dihydroisoquinoline-3,8(2H,5H)-dione |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C29 H31 N3 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(N2CCN(CC2)Cc2ccccc2)=O)=O)c2ccccc2)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7399 |
| logD: | 2.7193 |
| logSw: | -2.8745 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.383 |
| InChI Key: | ITJOYWJJCLKQNB-UHFFFAOYSA-N |