N-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y042-5048 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 335.38 |
| Molecular Formula: | C18 H13 N3 O2 S |
| Smiles: | CN1C=C(C(Nc2nc3ccccc3s2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8341 |
| logD: | 2.7952 |
| logSw: | -3.7364 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.04 |
| InChI Key: | PCBHEMLSWXKLFL-UHFFFAOYSA-N |