N-(2,3-dimethylcyclohexyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dimethylcyclohexyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-(2,3-dimethylcyclohexyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0748 |
| Compound Name: | N-(2,3-dimethylcyclohexyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 403.52 |
| Molecular Formula: | C25 H29 N3 O2 |
| Smiles: | CC1CCCC(C1C)NC(c1cnc(c2ccccc12)Nc1ccccc1OC)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3156 |
| logD: | 5.1236 |
| logSw: | -5.3667 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.118 |
| InChI Key: | SSARZVZLWAYNKY-UHFFFAOYSA-N |