methyl 4-{2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}benzoate
methyl 4-{2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | G419-0605 |
| Compound Name: | methyl 4-{2-[2-(4-chlorophenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]acetamido}benzoate |
| Molecular Weight: | 436.85 |
| Molecular Formula: | C22 H17 Cl N4 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CN1C=Cn2c(cc(c3ccc(cc3)[Cl])n2)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2257 |
| logD: | 3.2256 |
| logSw: | -3.7369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.294 |
| InChI Key: | JPWISQFVKGYWDK-UHFFFAOYSA-N |