1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-phenylpiperidine-4-carbonitrile
Chemical Structure Depiction of
1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-phenylpiperidine-4-carbonitrile
1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-phenylpiperidine-4-carbonitrile
Compound characteristics
| Compound ID: | D112-0126 |
| Compound Name: | 1-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}-4-phenylpiperidine-4-carbonitrile |
| Molecular Weight: | 478.38 |
| Molecular Formula: | C24 H21 Cl2 N7 |
| Smiles: | Cn1c2c(c(nc(Cc3ccc(cc3[Cl])[Cl])n2)N2CCC(CC2)(C#N)c2ccccc2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.1527 |
| logD: | 5.1523 |
| logSw: | -5.7552 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 67.312 |
| InChI Key: | XXWAQRFTMPBIPE-UHFFFAOYSA-N |