ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-propyl-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-propyl-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-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8009-3268 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 480.51 |
| Molecular Formula: | C20 H20 N10 O3 S |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCc1c(C(=O)OCC)nnn1c1c(N)non1 |
| Stereo: | ACHIRAL |
| logP: | 3.1207 |
| logD: | 3.1207 |
| logSw: | -3.0083 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 136.311 |
| InChI Key: | MPHNTFSSZKVFIC-UHFFFAOYSA-N |