N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G873-0218 |
Compound Name: | N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[1-(2-methoxyphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
Molecular Weight: | 509.89 |
Molecular Formula: | C21 H15 Cl F3 N5 O3 S |
Smiles: | COc1ccccc1n1c2c(cn1)C(NC(=N2)SCC(Nc1cc(ccc1[Cl])C(F)(F)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1373 |
logD: | 4.0743 |
logSw: | -4.4961 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 78.233 |
InChI Key: | LMGZBUAALAGVKL-UHFFFAOYSA-N |