3-benzyl-5-{1-[(4-fluorophenyl)methanesulfonyl]piperidin-4-yl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Chemical Structure Depiction of
3-benzyl-5-{1-[(4-fluorophenyl)methanesulfonyl]piperidin-4-yl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
3-benzyl-5-{1-[(4-fluorophenyl)methanesulfonyl]piperidin-4-yl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
Compound characteristics
| Compound ID: | D122-0029 |
| Compound Name: | 3-benzyl-5-{1-[(4-fluorophenyl)methanesulfonyl]piperidin-4-yl}-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol |
| Molecular Weight: | 482.54 |
| Molecular Formula: | C23 H23 F N6 O3 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1ccccc1)nn2)O)S(Cc1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3257 |
| logD: | 1.8716 |
| logSw: | -2.4317 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.159 |
| InChI Key: | NRBNUHPZXHDNTF-UHFFFAOYSA-N |