2-(4-chlorophenyl)-3-methyl-N-[3-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-7-carboxamide
Chemical Structure Depiction of
2-(4-chlorophenyl)-3-methyl-N-[3-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-7-carboxamide
2-(4-chlorophenyl)-3-methyl-N-[3-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-7-carboxamide
Compound characteristics
| Compound ID: | D733-0200 |
| Compound Name: | 2-(4-chlorophenyl)-3-methyl-N-[3-(methylsulfanyl)phenyl]-5-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-7-carboxamide |
| Molecular Weight: | 426.92 |
| Molecular Formula: | C21 H19 Cl N4 O2 S |
| Smiles: | Cc1c(c2ccc(cc2)[Cl])nn2C(CC(Nc12)=O)C(Nc1cccc(c1)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7612 |
| logD: | 3.7612 |
| logSw: | -4.3106 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.063 |
| InChI Key: | DNEABVONPUNGLD-KRWDZBQOSA-N |