N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N,N-dipropylurea
Chemical Structure Depiction of
N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N,N-dipropylurea
N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N,N-dipropylurea
Compound characteristics
| Compound ID: | E942-0225 |
| Compound Name: | N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N,N-dipropylurea |
| Molecular Weight: | 343.47 |
| Molecular Formula: | C20 H29 N3 O2 |
| Smiles: | CCCN(CCC)C(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7771 |
| logD: | 3.7632 |
| logSw: | -3.9192 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.695 |
| InChI Key: | LCESQHFCLIAVPV-UHFFFAOYSA-N |