3-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
3-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0421 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 421.47 |
| Molecular Formula: | C22 H19 N3 O4 S |
| Smiles: | Cc1cnc(NC(C2C(c3ccc4c(c3)OCO4)N(C)C(c3ccccc23)=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8641 |
| logD: | 3.6151 |
| logSw: | -3.88 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.463 |
| InChI Key: | PFKGVBPHPIIJHU-UHFFFAOYSA-N |