ethyl 6-(5-{[(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-{[(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-{[(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: | 8006-2598 |
| Compound Name: | ethyl 6-(5-{[(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: | 468.53 |
| Molecular Formula: | C22 H24 N6 O4 S |
| Smiles: | CCOC(CCCCC(C1=C(CSc2nc3c(c4ccccc4n3C)nn2)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2107 |
| logD: | -1.0579 |
| logSw: | -2.7814 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.061 |
| InChI Key: | XSQYNMHNBDIROT-UHFFFAOYSA-N |