1-(3-chloro-4-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1704 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)isoquinoline-4-carboxamide |
| Molecular Weight: | 445.9 |
| Molecular Formula: | C25 H20 Cl N3 O3 |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2091 |
| logD: | 5.2054 |
| logSw: | -5.4688 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.571 |
| InChI Key: | BSHKYTLNIPJQCC-UHFFFAOYSA-N |