3-[(3-chlorophenyl)methyl]-6-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Chemical Structure Depiction of
3-[(3-chlorophenyl)methyl]-6-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(3-chlorophenyl)methyl]-6-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
Compound characteristics
| Compound ID: | F830-0132 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-6-{[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 479.88 |
| Molecular Formula: | C22 H18 Cl N7 O4 |
| Smiles: | COc1ccc(cc1OC)c1nc(CN2C=Nc3c(C2=O)nnn3Cc2cccc(c2)[Cl])on1 |
| Stereo: | ACHIRAL |
| logP: | 2.9354 |
| logD: | 2.9354 |
| logSw: | -3.3911 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 99.626 |
| InChI Key: | VTRXCVPLGPXKAI-UHFFFAOYSA-N |