N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0002 |
| Compound Name: | N-(6-methoxy-1,3-benzothiazol-2-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 422.5 |
| Molecular Formula: | C22 H22 N4 O3 S |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(Nc1nc2ccc(cc2s1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7188 |
| logD: | 4.6863 |
| logSw: | -4.5235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.043 |
| InChI Key: | NGYLTRZXSYKXAR-UHFFFAOYSA-N |