N-(1,3-benzothiazol-2-yl)-N~2~-[(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-N~2~-[(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
N-(1,3-benzothiazol-2-yl)-N~2~-[(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide
Compound characteristics
| Compound ID: | C115-0004 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-N~2~-[(3-methyl-1-oxoisoquinolin-2(1H)-yl)acetyl]glycinamide |
| Molecular Weight: | 406.46 |
| Molecular Formula: | C21 H18 N4 O3 S |
| Smiles: | CC1=Cc2ccccc2C(N1CC(NCC(Nc1nc2ccccc2s1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4062 |
| logD: | 3.4061 |
| logSw: | -3.7954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.538 |
| InChI Key: | ZNSYFIWULMFHBQ-UHFFFAOYSA-N |