3-(2H-1,3-benzodioxol-5-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-(2H-1,3-benzodioxol-5-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0427 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | CN1C(C(C(Nc2nnc(COC)s2)=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5421 |
| logD: | 1.6606 |
| logSw: | -3.2187 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.359 |
| InChI Key: | ZGWLMPUYRRKKGV-UHFFFAOYSA-N |