N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N'-[3-(methylsulfanyl)phenyl]urea
N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | E679-0487 |
| Compound Name: | N-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | CN1C=C(c2ccccc2C1=O)NC(Nc1cccc(c1)SC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8575 |
| logD: | 2.8303 |
| logSw: | -3.6677 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.453 |
| InChI Key: | CUUZZKYVEHUAAZ-UHFFFAOYSA-N |