N-(1,3-benzothiazol-2-yl)-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
N-(1,3-benzothiazol-2-yl)-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
Compound characteristics
| Compound ID: | E679-0297 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea |
| Molecular Weight: | 350.4 |
| Molecular Formula: | C18 H14 N4 O2 S |
| Smiles: | CN1C=C(c2ccccc2C1=O)NC(Nc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1028 |
| logD: | 3.0687 |
| logSw: | -3.6419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.215 |
| InChI Key: | XXJUQDGGKRMOPX-UHFFFAOYSA-N |