N-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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: | L683-0372 |
| Compound Name: | N-(2-chlorophenyl)-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: | 493.97 |
| Molecular Formula: | C23 H20 Cl N7 O2 S |
| Smiles: | Cc1ccc(CN2C(c3c(cnn3C)n3c2nnc3SCC(Nc2ccccc2[Cl])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0239 |
| logD: | 3.0238 |
| logSw: | -3.3458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.891 |
| InChI Key: | ZABBQHHRYVLUGI-UHFFFAOYSA-N |