N-(3-chloro-4-methoxyphenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-(3-chloro-4-methoxyphenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C240-0016 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 432.91 |
| Molecular Formula: | C25 H21 Cl N2 O3 |
| Smiles: | COc1ccc(cc1[Cl])NC(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6115 |
| logD: | 4.5967 |
| logSw: | -4.7414 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.668 |
| InChI Key: | CDBRJEXMOOVSOT-UHFFFAOYSA-N |