3-(2H-1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-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-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-(2H-1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0425 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 457.51 |
| Molecular Formula: | C25 H19 N3 O4 S |
| Smiles: | CN1C(C(C(Nc2nc3ccccc3s2)=O)c2ccccc2C1=O)c1ccc2c(c1)OCO2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.544 |
| logD: | 4.5417 |
| logSw: | -4.4205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.656 |
| InChI Key: | SSLILFOVBCRMKL-UHFFFAOYSA-N |