methyl 7-hydroxy-5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Chemical Structure Depiction of
methyl 7-hydroxy-5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
methyl 7-hydroxy-5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
Compound characteristics
| Compound ID: | G754-0398 |
| Compound Name: | methyl 7-hydroxy-5-({[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}methyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C21 H17 N7 O4 S |
| Smiles: | Cc1ccc(cc1)n1c2c(C(NC=N2)=O)nc1SCc1cc(n2c(c(cn2)C(=O)OC)n1)O |
| Stereo: | ACHIRAL |
| logP: | 2.1252 |
| logD: | -0.3495 |
| logSw: | -2.7014 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.515 |
| InChI Key: | FIMYZVNDZKJSEY-UHFFFAOYSA-N |