methyl [4-(4-{[5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetyl}piperazin-1-yl)phenoxy]acetate
Chemical Structure Depiction of
methyl [4-(4-{[5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetyl}piperazin-1-yl)phenoxy]acetate
methyl [4-(4-{[5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetyl}piperazin-1-yl)phenoxy]acetate
Compound characteristics
| Compound ID: | H025-3222 |
| Compound Name: | methyl [4-(4-{[5-amino-2-(furan-2-yl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetyl}piperazin-1-yl)phenoxy]acetate |
| Molecular Weight: | 531.53 |
| Molecular Formula: | C25 H25 N9 O5 |
| Smiles: | COC(COc1ccc(cc1)N1CCN(CC1)C(Cn1c2c(cn1)c1nc(c3ccco3)nn1c(N)n2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8304 |
| logD: | 0.7926 |
| logSw: | -1.2137 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.133 |
| InChI Key: | ICTKAAZPCQTKNK-UHFFFAOYSA-N |