N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
Chemical Structure Depiction of
N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea
Compound characteristics
| Compound ID: | E679-0584 |
| Compound Name: | N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N'-{2-[4-(methylsulfanyl)phenyl]ethyl}urea |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | CN1C=C(c2ccccc2C1=O)NC(NCCc1ccc(cc1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5078 |
| logD: | 2.4433 |
| logSw: | -3.0629 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.617 |
| InChI Key: | CVHYGEPOMYKIBH-UHFFFAOYSA-N |