(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-methyl-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-methyl-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-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate
Compound characteristics
Compound ID: | 2683-0056 |
Compound Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl [(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetate |
Molecular Weight: | 433.44 |
Molecular Formula: | C21 H15 N5 O4 S |
Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(=O)OCN1C(c2ccccc2C1=O)=O |
Stereo: | ACHIRAL |
logP: | 2.4958 |
logD: | 2.4958 |
logSw: | -2.7868 |
Hydrogen bond acceptors count: | 11 |
Polar surface area: | 84.323 |
InChI Key: | GYAPTLSJQCAPJO-UHFFFAOYSA-N |