N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y043-0401 |
| Compound Name: | N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-methyl-1-oxo-3-phenyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 404.49 |
| Molecular Formula: | C22 H20 N4 O2 S |
| Smiles: | CN1C(C(C(Nc2nnc(C3CC3)s2)=O)c2ccccc2C1=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6292 |
| logD: | 2.7832 |
| logSw: | -3.9281 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.576 |
| InChI Key: | VDUPMJBOHZRPBU-UHFFFAOYSA-N |