N-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2236 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 431.88 |
| Molecular Formula: | C24 H18 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0696 |
| logD: | 6.0659 |
| logSw: | -6.0193 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.863 |
| InChI Key: | BMDFZCLUAUUHSL-UHFFFAOYSA-N |