N-(2H-1,3-benzodioxol-5-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-(2H-1,3-benzodioxol-5-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0402 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.789 |
| logD: | 3.7719 |
| logSw: | -3.9938 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.854 |
| InChI Key: | WGUUWQHZVWAQGM-UHFFFAOYSA-N |