N-(3-acetylphenyl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-acetylphenyl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(3-acetylphenyl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-1173 |
| Compound Name: | N-(3-acetylphenyl)-2-({1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C25 H24 F N5 O3 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(=Nc2c(C)n1)SCC(Nc1cccc(c1)C(C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0237 |
| logD: | 3.0236 |
| logSw: | -3.2644 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.414 |
| InChI Key: | GZQNKXFLZBPHKK-UHFFFAOYSA-N |