N-(2-methoxy-5-methylphenyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-methoxy-5-methylphenyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
N-(2-methoxy-5-methylphenyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide
Compound characteristics
Compound ID: | G199-2962 |
Compound Name: | N-(2-methoxy-5-methylphenyl)-2-{[2-(2-methylphenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetamide |
Molecular Weight: | 435.5 |
Molecular Formula: | C22 H21 N5 O3 S |
Smiles: | Cc1ccc(c(c1)NC(CSC1=NC(c2ccccc2C)=NC2=CC(NN12)=O)=O)OC |
Stereo: | ACHIRAL |
logP: | 2.7935 |
logD: | 2.7934 |
logSw: | -3.3515 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 80.015 |
InChI Key: | IVJZTVNRACVVHP-UHFFFAOYSA-N |