N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0145 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0855 |
| logD: | 3.0726 |
| logSw: | -3.5172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.176 |
| InChI Key: | DVDBUSRGXJKXQR-UHFFFAOYSA-N |