3-(2H-1,3-benzodioxol-5-yl)-N-(5-tert-butyl-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-tert-butyl-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-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0428 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 464.54 |
| Molecular Formula: | C24 H24 N4 O4 S |
| Smiles: | CC(C)(C)c1nnc(NC(C2C(c3ccc4c(c3)OCO4)N(C)C(c3ccccc23)=O)=O)s1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2645 |
| logD: | 3.4362 |
| logSw: | -4.3254 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.44 |
| InChI Key: | CERJSFNETVZXLR-UHFFFAOYSA-N |