1-(3-chloro-4-methylanilino)-N-(2-ethylphenyl)-N-methylisoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(2-ethylphenyl)-N-methylisoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(2-ethylphenyl)-N-methylisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2201 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(2-ethylphenyl)-N-methylisoquinoline-4-carboxamide |
| Molecular Weight: | 429.95 |
| Molecular Formula: | C26 H24 Cl N3 O |
| Smiles: | CCc1ccccc1N(C)C(c1cnc(c2ccccc12)Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.9048 |
| logD: | 6.896 |
| logSw: | -6.3226 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.725 |
| InChI Key: | SFABYMLZLDCYOG-UHFFFAOYSA-N |