2,6-dimethylphenyl {[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Chemical Structure Depiction of
2,6-dimethylphenyl {[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
2,6-dimethylphenyl {[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | F571-0213 |
| Compound Name: | 2,6-dimethylphenyl {[2-(4-chlorophenyl)-7-oxo-6,7-dihydropyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl}acetate |
| Molecular Weight: | 440.91 |
| Molecular Formula: | C21 H17 Cl N4 O3 S |
| Smiles: | Cc1cccc(C)c1OC(CSC1=NC(c2ccc(cc2)[Cl])=NC2=CC(NN12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3872 |
| logD: | 4.3872 |
| logSw: | -4.7347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.161 |
| InChI Key: | YVAAGKCKFPYTOM-UHFFFAOYSA-N |