ethyl 6-oxo-6-[2-oxo-5-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate
Chemical Structure Depiction of
ethyl 6-oxo-6-[2-oxo-5-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate
ethyl 6-oxo-6-[2-oxo-5-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate
Compound characteristics
| Compound ID: | 8009-1403 |
| Compound Name: | ethyl 6-oxo-6-[2-oxo-5-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,3-dihydro-1H-imidazol-4-yl]hexanoate |
| Molecular Weight: | 496.59 |
| Molecular Formula: | C24 H28 N6 O4 S |
| Smiles: | CCOC(CCCCC(C1=C(CSc2nc3c(c4ccccc4n3C(C)C)nn2)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0424 |
| logD: | -0.2262 |
| logSw: | -3.3388 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.326 |
| InChI Key: | LZYVRKCGRKKISI-UHFFFAOYSA-N |