2-({6-[(4-chlorophenyl)methyl]-1-ethyl-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)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-(3-fluoro-4-methylphenyl)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-(3-fluoro-4-methylphenyl)acetamide
Compound characteristics
| Compound ID: | E960-0964 |
| 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-(3-fluoro-4-methylphenyl)acetamide |
| Molecular Weight: | 499.99 |
| Molecular Formula: | C24 H23 Cl F N5 O2 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c(C)n1)SCC(Nc1ccc(C)c(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4982 |
| logD: | 4.4981 |
| logSw: | -4.6536 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.587 |
| InChI Key: | AQDGCAYTLOMWAJ-UHFFFAOYSA-N |