methyl 2-(2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethoxybenzoate
Chemical Structure Depiction of
methyl 2-(2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethoxybenzoate
methyl 2-(2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethoxybenzoate
Compound characteristics
| Compound ID: | 8018-9558 |
| Compound Name: | methyl 2-(2-{[5-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)-4,5-dimethoxybenzoate |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C18 H21 N7 O6 S |
| Smiles: | CCn1c(c2c(N)non2)nnc1SCC(Nc1cc(c(cc1C(=O)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3979 |
| logD: | 1.1809 |
| logSw: | -2.3526 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 139.937 |
| InChI Key: | ROIGNVNPWLYAHT-UHFFFAOYSA-N |