N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]urea
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | Y206-3122 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 316.38 |
| Molecular Formula: | C16 H16 N2 O3 S |
| Smiles: | CSc1cccc(c1)NC(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.262 |
| logD: | 3.262 |
| logSw: | -3.3979 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.979 |
| InChI Key: | BRCGAKSNYLKYAK-UHFFFAOYSA-N |