ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
Chemical Structure Depiction of
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate
Compound characteristics
| Compound ID: | 8013-3750 |
| Compound Name: | ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methyl}-1H-1,2,3-triazole-4-carboxylate |
| Molecular Weight: | 439.43 |
| Molecular Formula: | C19 H21 N9 O4 |
| Smiles: | CCOC(c1c(CNC2=C(C)N(C)N(C2=O)c2ccccc2)n(c2c(N)non2)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3601 |
| logD: | 0.36 |
| logSw: | -1.1671 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 134.209 |
| InChI Key: | WVIYXFZTKUJEFY-UHFFFAOYSA-N |