5-[(2,4-dichlorophenyl)methyl]-7-[4-(4-fluorophenyl)-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-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
5-[(2,4-dichlorophenyl)methyl]-7-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine
Compound characteristics
| Compound ID: | D112-0123 |
| Compound Name: | 5-[(2,4-dichlorophenyl)methyl]-7-[4-(4-fluorophenyl)-3,6-dihydropyridin-1(2H)-yl]-3-methyl-3H-[1,2,3]triazolo[4,5-d]pyrimidine |
| Molecular Weight: | 469.35 |
| Molecular Formula: | C23 H19 Cl2 F N6 |
| Smiles: | Cn1c2c(c(nc(Cc3ccc(cc3[Cl])[Cl])n2)N2CCC(=CC2)c2ccc(cc2)F)nn1 |
| Stereo: | ACHIRAL |
| logP: | 6.0127 |
| logD: | 6.0126 |
| logSw: | -6.3047 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 50.255 |
| InChI Key: | DODBBBGTEOULTK-UHFFFAOYSA-N |