2-(3-{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-(3-{3-[(3-chlorophenyl)methyl]-7-hydroxy-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
2-(3-{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: | D203-0071 |
| Compound Name: | 2-(3-{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: | C1CC(CN(C1)S(c1ccccc1C#N)(=O)=O)c1nc(c2c(n1)n(Cc1cccc(c1)[Cl])nn2)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8862 |
| logD: | 2.4322 |
| logSw: | -3.5544 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.254 |
| InChI Key: | LQQDRNJCZKPDBL-KRWDZBQOSA-N |