1'-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}[1,4'-bipiperidine]-4'-carboxamide
Chemical Structure Depiction of
1'-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}[1,4'-bipiperidine]-4'-carboxamide
1'-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}[1,4'-bipiperidine]-4'-carboxamide
Compound characteristics
| Compound ID: | D112-0120 |
| Compound Name: | 1'-{5-[(2,4-dichlorophenyl)methyl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl}[1,4'-bipiperidine]-4'-carboxamide |
| Molecular Weight: | 503.43 |
| Molecular Formula: | C23 H28 Cl2 N8 O |
| Smiles: | Cn1c2c(c(nc(Cc3ccc(cc3[Cl])[Cl])n2)N2CCC(CC2)(C(N)=O)N2CCCCC2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.0785 |
| logD: | 3.6938 |
| logSw: | -4.3486 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.663 |
| InChI Key: | VUALLWJXYYPLJD-UHFFFAOYSA-N |