N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2276 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 515.06 |
| Molecular Formula: | C30 H31 Cl N4 O2 |
| Smiles: | C1CN2C(C(C(NCCN3CCN(CC3)c3cccc(c3)[Cl])=O)c3ccccc3C2=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1549 |
| logD: | 3.9871 |
| logSw: | -4.4206 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.444 |
| InChI Key: | TWVRDDHCERJDGQ-UHFFFAOYSA-N |