{2-[(difluoromethyl)sulfanyl]phenyl}{4-[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone
Chemical Structure Depiction of
{2-[(difluoromethyl)sulfanyl]phenyl}{4-[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone
{2-[(difluoromethyl)sulfanyl]phenyl}{4-[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | G866-0399 |
| Compound Name: | {2-[(difluoromethyl)sulfanyl]phenyl}{4-[3-(4-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazin-1-yl}methanone |
| Molecular Weight: | 485.49 |
| Molecular Formula: | C22 H18 F3 N7 O S |
| Smiles: | C1CN(CCN1C(c1ccccc1SC(F)F)=O)c1c2c(ncn1)n(c1ccc(cc1)F)nn2 |
| Stereo: | ACHIRAL |
| logP: | 3.511 |
| logD: | 3.511 |
| logSw: | -3.7654 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.081 |
| InChI Key: | UYDMYESPIPAPQC-UHFFFAOYSA-N |