N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5040 |
| Compound Name: | N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 326.37 |
| Molecular Formula: | C16 H14 N4 O2 S |
| Smiles: | CN1C=C(C(Nc2nnc(C3CC3)s2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 1.8383 |
| logD: | -0.1889 |
| logSw: | -2.6425 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.075 |
| InChI Key: | DVYYUGCOHRFVDE-UHFFFAOYSA-N |