2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Chemical Structure Depiction of
2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide
Compound characteristics
| Compound ID: | E960-1085 |
| Compound Name: | 2-({6-[(2-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C25 H26 Cl N5 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccccc3[Cl])C(=Nc2c(C)n1)SCC(Nc1ccc(C)c(C)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.725 |
| logD: | 4.725 |
| logSw: | -4.7804 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.587 |
| InChI Key: | IRDWCLDOMHJLGJ-UHFFFAOYSA-N |