ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
Compound ID: | 8009-2590 |
Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
Molecular Weight: | 452.45 |
Molecular Formula: | C18 H16 N10 O3 S |
Smiles: | CCOC(c1c(CSc2nc3c(c4ccccc4n3C)nn2)n(c2c(N)non2)nn1)=O |
Stereo: | ACHIRAL |
logP: | 1.9529 |
logD: | 1.9529 |
logSw: | -2.4247 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 137.143 |
InChI Key: | HTSNMUAVQPWAIO-UHFFFAOYSA-N |