methyl 5-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-carboxylate
Chemical Structure Depiction of
methyl 5-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-carboxylate
methyl 5-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-carboxylate
Compound characteristics
| Compound ID: | C801-0323 |
| Compound Name: | methyl 5-{[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]methyl}furan-2-carboxylate |
| Molecular Weight: | 384.78 |
| Molecular Formula: | C18 H13 Cl N4 O4 |
| Smiles: | COC(c1ccc(CN2C=Nc3c(cnn3c3ccc(cc3)[Cl])C2=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.12 |
| logD: | 3.12 |
| logSw: | -3.4871 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.305 |
| InChI Key: | BVMRADWZLYCSFE-UHFFFAOYSA-N |