13-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C240-0091 |
| Compound Name: | 13-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C29 H29 N3 O3 |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1546 |
| logD: | 4.1541 |
| logSw: | -4.2148 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.398 |
| InChI Key: | BTLYKGSNCPUZMF-UHFFFAOYSA-N |