2-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
2-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8009-9743 |
| Compound Name: | 2-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 454.3 |
| Molecular Formula: | C19 H12 Br N5 O2 S |
| Smiles: | Cn1c2ccc(cc2c2c1nc(nn2)SCN1C(c2ccccc2C1=O)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.6416 |
| logD: | 3.6416 |
| logSw: | -3.9585 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.441 |
| InChI Key: | YLBSPONIKHQQFP-UHFFFAOYSA-N |