(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 |