ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-benzyl-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-benzyl-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-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8009-3557 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-benzyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 528.55 |
| Molecular Formula: | C24 H20 N10 O3 S |
| Smiles: | CCOC(c1c(CSc2nc3c(c4ccccc4n3Cc3ccccc3)nn2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8273 |
| logD: | 3.8273 |
| logSw: | -3.9439 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.061 |
| InChI Key: | UFRQKLUNSJJBBG-UHFFFAOYSA-N |