N-(3-chloro-4-fluorophenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-(3-chloro-4-fluorophenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C240-0014 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 420.87 |
| Molecular Formula: | C24 H18 Cl F N2 O2 |
| Smiles: | C1CN2C(C(C(Nc3ccc(c(c3)[Cl])F)=O)c3ccccc3C2=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.831 |
| logD: | 4.5232 |
| logSw: | -4.9907 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.037 |
| InChI Key: | URABHOFIFZIGKF-UHFFFAOYSA-N |