ethyl 1-(3-chloro-4-methoxyanilino)isoquinoline-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(3-chloro-4-methoxyanilino)isoquinoline-4-carboxylate
ethyl 1-(3-chloro-4-methoxyanilino)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0404 |
| Compound Name: | ethyl 1-(3-chloro-4-methoxyanilino)isoquinoline-4-carboxylate |
| Molecular Weight: | 356.81 |
| Molecular Formula: | C19 H17 Cl N2 O3 |
| Smiles: | CCOC(c1cnc(c2ccccc12)Nc1ccc(c(c1)[Cl])OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8888 |
| logD: | 4.8887 |
| logSw: | -4.9028 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.041 |
| InChI Key: | KHNITYBTYNPLPW-UHFFFAOYSA-N |