N-(3-fluoro-4-methylphenyl)-2-({6-methyl-4-[(4-methylphenyl)methyl]-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-fluoro-4-methylphenyl)-2-({6-methyl-4-[(4-methylphenyl)methyl]-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
N-(3-fluoro-4-methylphenyl)-2-({6-methyl-4-[(4-methylphenyl)methyl]-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | L683-0389 |
| Compound Name: | N-(3-fluoro-4-methylphenyl)-2-({6-methyl-4-[(4-methylphenyl)methyl]-5-oxo-5,6-dihydro-4H-pyrazolo[3,4-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl}sulfanyl)acetamide |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C24 H22 F N7 O2 S |
| Smiles: | Cc1ccc(CN2C(c3c(cnn3C)n3c2nnc3SCC(Nc2ccc(C)c(c2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.6229 |
| logD: | 3.6227 |
| logSw: | -3.7822 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.589 |
| InChI Key: | VFOHGRRCBMMZPQ-UHFFFAOYSA-N |