N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5044 |
| Compound Name: | N-(5-benzyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 376.44 |
| Molecular Formula: | C20 H16 N4 O2 S |
| Smiles: | CN1C=C(C(Nc2nnc(Cc3ccccc3)s2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.6804 |
| logD: | 1.2626 |
| logSw: | -3.5629 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.047 |
| InChI Key: | HJZORHURGFHAIP-UHFFFAOYSA-N |