ethyl 6-oxo-6-(2-oxo-5-{[(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-{[(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-{[(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: | C393-0004 |
| Compound Name: | ethyl 6-oxo-6-(2-oxo-5-{[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-2,3-dihydro-1H-imidazol-4-yl)hexanoate |
| Molecular Weight: | 454.51 |
| Molecular Formula: | C21 H22 N6 O4 S |
| Smiles: | CCOC(CCCCC(C1=C(CSc2nc3c(c4ccccc4[nH]3)nn2)NC(N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9086 |
| logD: | -1.36 |
| logSw: | -2.6072 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.807 |
| InChI Key: | BZQIVURSQDEJQM-UHFFFAOYSA-N |