ethyl 6-(5-{[(5-benzyl-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-benzyl-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-benzyl-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: | C393-0010 |
| Compound Name: | ethyl 6-(5-{[(5-benzyl-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: | 544.63 |
| Molecular Formula: | C28 H28 N6 O4 S |
| Smiles: | CCOC(CCCCC(C1=C(CSc2nc3c(c4ccccc4n3Cc3ccccc3)nn2)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0851 |
| logD: | 0.8165 |
| logSw: | -4.0764 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 101.979 |
| InChI Key: | ZQZFWPIMSYBBAO-UHFFFAOYSA-N |