6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | C656-0365 |
| Compound Name: | 6-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 351.79 |
| Molecular Formula: | C18 H14 Cl N5 O |
| Smiles: | Cc1ccc(cc1)n1c2c(C(N(Cc3ccccc3[Cl])C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.3719 |
| logD: | 3.3719 |
| logSw: | -3.3662 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.158 |
| InChI Key: | NLYKJJWRZHNUPZ-UHFFFAOYSA-N |