6-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
6-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
6-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0576 |
| Compound Name: | 6-{[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-ethylphenyl)-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 433.86 |
| Molecular Formula: | C21 H16 Cl N7 O2 |
| Smiles: | CCc1ccc(cc1)n1c2c(C(N(Cc3nc(c4ccccc4[Cl])no3)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 3.8617 |
| logD: | 3.8617 |
| logSw: | -4.2345 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.501 |
| InChI Key: | DCQVHZKBRFQUSP-UHFFFAOYSA-N |