ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-({[5-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8009-3267 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-({[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 478.49 |
| Molecular Formula: | C20 H18 N10 O3 S |
| Smiles: | CCOC(c1c(CSc2nc3c(c4ccccc4n3CC=C)nn2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.875 |
| logD: | 2.875 |
| logSw: | -2.963 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.311 |
| InChI Key: | KAGCAMUWMKBBDV-UHFFFAOYSA-N |