5-[(2,4-dichlorophenyl)methyl]-7-(3,6-dihydropyridin-1(2H)-yl)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Chemical Structure Depiction of
5-[(2,4-dichlorophenyl)methyl]-7-(3,6-dihydropyridin-1(2H)-yl)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
5-[(2,4-dichlorophenyl)methyl]-7-(3,6-dihydropyridin-1(2H)-yl)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | D112-0132 |
| Compound Name: | 5-[(2,4-dichlorophenyl)methyl]-7-(3,6-dihydropyridin-1(2H)-yl)-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 375.26 |
| Molecular Formula: | C17 H16 Cl2 N6 |
| Smiles: | Cn1c2c(c(nc(Cc3ccc(cc3[Cl])[Cl])n2)N2CCC=CC2)nn1 |
| Stereo: | ACHIRAL |
| logP: | 4.3652 |
| logD: | 4.3651 |
| logSw: | -4.5054 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.527 |
| InChI Key: | IMEMLBSPOGUWIH-UHFFFAOYSA-N |