2-(3,4-dimethoxyphenyl)-7-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
2-(3,4-dimethoxyphenyl)-7-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
2-(3,4-dimethoxyphenyl)-7-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0350 |
| Compound Name: | 2-(3,4-dimethoxyphenyl)-7-({[4-(2-oxopyrrolidin-1-yl)phenyl]methyl}sulfanyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C24 H23 N5 O4 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCc1ccc(cc1)N1CCCC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0987 |
| logD: | 3.0975 |
| logSw: | -3.4521 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.392 |
| InChI Key: | MDFJFPUVLIFEAB-UHFFFAOYSA-N |