N-[1-(2-methoxyethyl)-1H-indol-4-yl]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[1-(2-methoxyethyl)-1H-indol-4-yl]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-[1-(2-methoxyethyl)-1H-indol-4-yl]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5413 |
| Compound Name: | N-[1-(2-methoxyethyl)-1H-indol-4-yl]-2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C26 H29 N3 O3 |
| Smiles: | CC(C)CCN1C=C(C(Nc2cccc3c2ccn3CCOC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.7889 |
| logD: | 3.7742 |
| logSw: | -3.9129 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.275 |
| InChI Key: | BHJNVFKVHCLANM-UHFFFAOYSA-N |