1-(4-chlorophenyl)-6-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
Chemical Structure Depiction of
1-(4-chlorophenyl)-6-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
1-(4-chlorophenyl)-6-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
Compound characteristics
| Compound ID: | L090-0679 |
| Compound Name: | 1-(4-chlorophenyl)-6-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide |
| Molecular Weight: | 439.92 |
| Molecular Formula: | C21 H18 Cl N5 O2 S |
| Smiles: | CN1C=Nc2c(C(NCc3ccc(cc3)SC)=O)nn(c3ccc(cc3)[Cl])c2C1=O |
| Stereo: | ACHIRAL |
| logP: | 2.8602 |
| logD: | 2.8598 |
| logSw: | -3.5897 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.739 |
| InChI Key: | COJQWZKWXAEMMP-UHFFFAOYSA-N |