1-(3-chloro-4-methylanilino)-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(3-chloro-4-methylanilino)-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide
1-(3-chloro-4-methylanilino)-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1786 |
| Compound Name: | 1-(3-chloro-4-methylanilino)-N-(2,3-dimethylcyclohexyl)isoquinoline-4-carboxamide |
| Molecular Weight: | 421.97 |
| Molecular Formula: | C25 H28 Cl N3 O |
| Smiles: | CC1CCCC(C1C)NC(c1cnc(c2ccccc12)Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.6358 |
| logD: | 6.6287 |
| logSw: | -6.1563 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.185 |
| InChI Key: | IBDDGECDDMPPEI-UHFFFAOYSA-N |