2-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
Chemical Structure Depiction of
2-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
2-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile
Compound characteristics
| Compound ID: | D203-0067 |
| Compound Name: | 2-(4-{7-hydroxy-3-[(4-methylphenyl)methyl]-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-yl}piperidine-1-sulfonyl)benzonitrile |
| Molecular Weight: | 489.56 |
| Molecular Formula: | C24 H23 N7 O3 S |
| Smiles: | Cc1ccc(Cn2c3c(c(nc(C4CCN(CC4)S(c4ccccc4C#N)(=O)=O)n3)O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7919 |
| logD: | 2.3378 |
| logSw: | -3.2701 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 111.321 |
| InChI Key: | DREHAWNKHYTPRF-UHFFFAOYSA-N |