2-(3-methylbutyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3-methylbutyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
2-(3-methylbutyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5291 |
| Compound Name: | 2-(3-methylbutyl)-1-oxo-N-(3,4,5-trimethoxyphenyl)-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 424.5 |
| Molecular Formula: | C24 H28 N2 O5 |
| Smiles: | CC(C)CCN1C=C(C(Nc2cc(c(c(c2)OC)OC)OC)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.2776 |
| logD: | 3.0396 |
| logSw: | -3.729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.519 |
| InChI Key: | NRJMVTHFAIVURN-UHFFFAOYSA-N |