7-{[(3-bromophenyl)methyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Chemical Structure Depiction of
7-{[(3-bromophenyl)methyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
7-{[(3-bromophenyl)methyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one
Compound characteristics
| Compound ID: | F835-0368 |
| Compound Name: | 7-{[(3-bromophenyl)methyl]sulfanyl}-2-(3,4-dimethoxyphenyl)pyrazolo[1,5-d][1,2,4]triazin-4(5H)-one |
| Molecular Weight: | 473.35 |
| Molecular Formula: | C20 H17 Br N4 O3 S |
| Smiles: | COc1ccc(cc1OC)c1cc2C(NN=C(n2n1)SCc1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3004 |
| logD: | 4.2993 |
| logSw: | -4.3948 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.575 |
| InChI Key: | XGWDCHLOBMCMKL-UHFFFAOYSA-N |