(azepan-1-yl)[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]methanone
Chemical Structure Depiction of
(azepan-1-yl)[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]methanone
(azepan-1-yl)[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]methanone
Compound characteristics
| Compound ID: | C066-1706 |
| Compound Name: | (azepan-1-yl)[1-(3-chloro-4-methylanilino)isoquinolin-4-yl]methanone |
| Molecular Weight: | 393.92 |
| Molecular Formula: | C23 H24 Cl N3 O |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9549 |
| logD: | 5.9379 |
| logSw: | -5.932 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.636 |
| InChI Key: | ZOQNVMZGQQACOC-UHFFFAOYSA-N |