ethyl 6-(5-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Chemical Structure Depiction of
ethyl 6-(5-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
ethyl 6-(5-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate
Compound characteristics
| Compound ID: | C393-0013 |
| Compound Name: | ethyl 6-(5-{[(8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2-oxo-2,3-dihydro-1H-imidazol-4-yl)-6-oxohexanoate |
| Molecular Weight: | 547.43 |
| Molecular Formula: | C22 H23 Br N6 O4 S |
| Smiles: | CCOC(CCCCC(C1=C(CSc2nc3c(c4cc(ccc4n3C)[Br])nn2)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0463 |
| logD: | -0.2223 |
| logSw: | -3.3934 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.061 |
| InChI Key: | AAKZCIHQRMMMAC-UHFFFAOYSA-N |