N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea
Compound characteristics
| Compound ID: | E679-0452 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)urea |
| Molecular Weight: | 351.36 |
| Molecular Formula: | C19 H17 N3 O4 |
| Smiles: | CN1C=C(c2ccccc2C1=O)NC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5262 |
| logD: | 1.5126 |
| logSw: | -2.4387 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.891 |
| InChI Key: | ZJFFGCOKKMIPND-UHFFFAOYSA-N |