2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K937-0762 |
| Compound Name: | 2-(3,4-dimethylphenyl)-N-(4-methyl-1,3-benzothiazol-2-yl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 439.54 |
| Molecular Formula: | C26 H21 N3 O2 S |
| Smiles: | Cc1ccc(cc1C)N1C=C(C(Nc2nc3c(C)cccc3s2)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.9036 |
| logD: | 5.8948 |
| logSw: | -5.4955 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.377 |
| InChI Key: | JTXSECUBGIUMAE-UHFFFAOYSA-N |