N-(3-acetamidophenyl)-3-(2H-1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-acetamidophenyl)-3-(2H-1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(3-acetamidophenyl)-3-(2H-1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0430 |
| Compound Name: | N-(3-acetamidophenyl)-3-(2H-1,3-benzodioxol-5-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C26 H23 N3 O5 |
| Smiles: | CC(Nc1cccc(c1)NC(C1C(c2ccc3c(c2)OCO3)N(C)C(c2ccccc12)=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.8006 |
| logD: | 2.8005 |
| logSw: | -3.4715 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.157 |
| InChI Key: | CHHIXSQTAJETDC-UHFFFAOYSA-N |