(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
					Chemical Structure Depiction of
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
			(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Compound characteristics
| Compound ID: | 8008-9354 | 
| Compound Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate | 
| Molecular Weight: | 509.54 | 
| Molecular Formula: | C27 H19 N5 O4 S | 
| Smiles: | C(c1ccccc1)n1c2ccccc2c2c1nc(nn2)SCC(=O)OCN1C(c2ccccc2C1=O)=O | 
| Stereo: | ACHIRAL | 
| logP: | 4.3703 | 
| logD: | 4.3703 | 
| logSw: | -4.5102 | 
| Hydrogen bond acceptors count: | 11 | 
| Polar surface area: | 83.241 | 
| InChI Key: | QVAFBXABJHHEDM-UHFFFAOYSA-N | 
 
				 
				