N-[3-(azepan-1-yl)propyl]-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
N-[3-(azepan-1-yl)propyl]-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C066-1973 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-1-(3-chloro-4-methylanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 451.01 |
| Molecular Formula: | C26 H31 Cl N4 O |
| Smiles: | Cc1ccc(cc1[Cl])Nc1c2ccccc2c(cn1)C(NCCCN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9986 |
| logD: | 3.4279 |
| logSw: | -5.9452 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.225 |
| InChI Key: | NNXWAUTYOVMQBN-UHFFFAOYSA-N |