13-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C240-0044 |
| Compound Name: | 13-[4-(3-chlorophenyl)piperazine-1-carbonyl]-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 471.99 |
| Molecular Formula: | C28 H26 Cl N3 O2 |
| Smiles: | C1CN2C(C(C(N3CCN(CC3)c3cccc(c3)[Cl])=O)c3ccccc3C2=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6343 |
| logD: | 4.6343 |
| logSw: | -4.8977 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 35.855 |
| InChI Key: | ODHPLLWHKJQBAQ-UHFFFAOYSA-N |