N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[3-(methylsulfanyl)phenyl]urea
N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | E942-0183 |
| Compound Name: | N-[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CC(C)CN1C=C(c2ccccc2C1=O)NC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4168 |
| logD: | 4.3909 |
| logSw: | -4.2851 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.738 |
| InChI Key: | XZXKPAVZSOFVRC-UHFFFAOYSA-N |