methyl 4-{2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate
methyl 4-{2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F833-0594 |
| Compound Name: | methyl 4-{2-[9-(4-chlorophenyl)-3-oxopyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 476.88 |
| Molecular Formula: | C23 H17 Cl N6 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C(N2C=Cn3c(cc(c4ccc(cc4)[Cl])n3)C2=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4636 |
| logD: | 3.4635 |
| logSw: | -3.9918 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.642 |
| InChI Key: | RSBXGFFFAIALIK-UHFFFAOYSA-N |