1-(3-chloro-4-methylanilino)-N-(2-ethoxyphenyl)-N-methylisoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(2-ethoxyphenyl)-N-methylisoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(2-ethoxyphenyl)-N-methylisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-2200 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(2-ethoxyphenyl)-N-methylisoquinoline-4-carboxamide |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C26 H24 Cl N3 O2 |
| Smiles: | CCOc1ccccc1N(C)C(c1cnc(c2ccccc12)Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4148 |
| logD: | 6.406 |
| logSw: | -6.1169 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.935 |
| InChI Key: | MQPRITMPUSQYFM-UHFFFAOYSA-N |