2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(2,5-dimethoxyphenyl)acetamide
2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C200-6017 |
| Compound Name: | 2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 528.03 |
| Molecular Formula: | C25 H26 Cl N5 O4 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c(C)n1)SCC(Nc1cc(ccc1OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5319 |
| logD: | 3.5316 |
| logSw: | -4.0149 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.064 |
| InChI Key: | BEJUQQUPDYYKFZ-UHFFFAOYSA-N |