7-{[(4-chlorophenyl)methyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-{[(4-chlorophenyl)methyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[(4-chlorophenyl)methyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0335 |
| Compound Name: | 7-{[(4-chlorophenyl)methyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 428.9 |
| Molecular Formula: | C20 H17 Cl N4 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9066 |
| logD: | 3.9055 |
| logSw: | -4.4879 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.575 |
| InChI Key: | JNKQYXGEABJEBA-UHFFFAOYSA-N |