N-(3-chloro-4-fluorophenyl)-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-(3-chloro-4-fluorophenyl)-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C358-0014 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-10,11-dimethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 480.92 |
| Molecular Formula: | C26 H22 Cl F N2 O4 |
| Smiles: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5712 |
| logD: | 4.2633 |
| logSw: | -4.6677 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.298 |
| InChI Key: | YFHFVYUHYZGZEU-UHFFFAOYSA-N |