2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
					Chemical Structure Depiction of
2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
			2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one
Compound characteristics
| Compound ID: | C430-0114 | 
| Compound Name: | 2-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[3-(methylsulfanyl)anilino]-2,3-dihydro-1H-isoindol-1-one | 
| Molecular Weight: | 404.49 | 
| Molecular Formula: | C23 H20 N2 O3 S | 
| Smiles: | CSc1cccc(c1)NC1c2ccccc2C(N1Cc1ccc2c(c1)OCO2)=O | 
| Stereo: | RACEMIC MIXTURE | 
| logP: | 4.4426 | 
| logD: | 4.4426 | 
| logSw: | -4.3431 | 
| Hydrogen bond acceptors count: | 5 | 
| Hydrogen bond donors count: | 1 | 
| Polar surface area: | 42.117 | 
| InChI Key: | FCQTTYFVDKCRSC-QFIPXVFZSA-N | 
 
				 
				