N-{2-[butyl(ethyl)amino]ethyl}-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{2-[butyl(ethyl)amino]ethyl}-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-{2-[butyl(ethyl)amino]ethyl}-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0817 |
| Compound Name: | N-{2-[butyl(ethyl)amino]ethyl}-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C25 H32 N4 O2 |
| Smiles: | CCCCN(CC)CCNC(c1cnc(c2ccccc12)Nc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9163 |
| logD: | 3.8287 |
| logSw: | -4.5259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.78 |
| InChI Key: | YRGYZDFGHJSFML-UHFFFAOYSA-N |