2-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
2-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
2-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | D203-0072 |
| Compound Name: | 2-(4-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 509.97 |
| Molecular Formula: | C23 H20 Cl N7 O3 S |
| Smiles: | C1CN(CCC1c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O)S(c1ccccc1C#N)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0239 |
| logD: | 2.5699 |
| logSw: | -3.5627 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.321 |
| InChI Key: | QEGYGMIXNHBIAW-UHFFFAOYSA-N |