[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]{4-[4-(propan-2-yl)phenyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]{4-[4-(propan-2-yl)phenyl]piperazin-1-yl}methanone
[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]{4-[4-(propan-2-yl)phenyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | C066-1753 |
| Compound Name: | [1-(3-chloro-4-methylanilino)isoquinolin-4-yl]{4-[4-(propan-2-yl)phenyl]piperazin-1-yl}methanone |
| Molecular Weight: | 499.06 |
| Molecular Formula: | C30 H31 Cl N4 O |
| Smiles: | CC(C)c1ccc(cc1)N1CCN(CC1)C(c1cnc(c2ccccc12)Nc1ccc(C)c(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.554 |
| logD: | 7.537 |
| logSw: | -6.4046 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.565 |
| InChI Key: | WHEXKQDXVBEKTN-UHFFFAOYSA-N |