N-(2H-1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C096-1474 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 524.55 |
| Molecular Formula: | C31 H25 F N2 O5 |
| Smiles: | COc1ccc(cc1)C1C(C(Nc2ccc3c(c2)OCO3)=O)c2ccccc2C(N1Cc1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.1826 |
| logD: | 5.1807 |
| logSw: | -5.0235 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.402 |
| InChI Key: | IZBUNKRBOVDJNS-UHFFFAOYSA-N |