N-(4-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-sulfonyl}phenyl)acetamide
Chemical Structure Depiction of
N-(4-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-sulfonyl}phenyl)acetamide
N-(4-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-sulfonyl}phenyl)acetamide
Compound characteristics
| Compound ID: | G867-0106 |
| Compound Name: | N-(4-{4-[3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl]piperazine-1-sulfonyl}phenyl)acetamide |
| Molecular Weight: | 496.52 |
| Molecular Formula: | C22 H21 F N8 O3 S |
| Smiles: | CC(Nc1ccc(cc1)S(N1CCN(CC1)c1c2c(ncn1)n(c1cccc(c1)F)nn2)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1785 |
| logD: | 2.1781 |
| logSw: | -2.9113 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.406 |
| InChI Key: | MROHRQUNMXGMAT-UHFFFAOYSA-N |