N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
Chemical Structure Depiction of
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
Compound characteristics
| Compound ID: | E942-0295 |
| Compound Name: | N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(NCCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0672 |
| logD: | 4.0054 |
| logSw: | -4.2133 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.902 |
| InChI Key: | CDGFXTZOONIPDO-UHFFFAOYSA-N |