N-butyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Chemical Structure Depiction of
N-butyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
N-butyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea
Compound characteristics
| Compound ID: | E942-0054 |
| Compound Name: | N-butyl-N'-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]urea |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C18 H25 N3 O2 |
| Smiles: | CCCCNC(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2269 |
| logD: | 3.2047 |
| logSw: | -3.6755 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.173 |
| InChI Key: | WFYVDXDSCGZPKO-UHFFFAOYSA-N |