N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1142 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-methoxyphenyl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C26 H24 N2 O5 |
| Smiles: | CN1C(C(C(Nc2ccc3c(c2)OCCO3)=O)c2ccccc2C1=O)c1ccc(cc1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6275 |
| logD: | 2.6256 |
| logSw: | -3.3911 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.146 |
| InChI Key: | SMHZNGWQWIMYKF-UHFFFAOYSA-N |