N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C033-0235 |
| Compound Name: | N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-(3-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C27 H31 N3 O4 |
| Smiles: | CC1CC(C)CN(C1)C(CCNC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)OC)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.777 |
| logD: | 2.777 |
| logSw: | -3.5201 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.812 |
| InChI Key: | YLVJCPKAPYRVSR-UHFFFAOYSA-N |