3-[(4-methylphenyl)methyl]-6-{[3-(3-methylphenyl)-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-[(4-methylphenyl)methyl]-6-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
3-[(4-methylphenyl)methyl]-6-{[3-(3-methylphenyl)-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: | F830-0213 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-6-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 413.44 |
| Molecular Formula: | C22 H19 N7 O2 |
| Smiles: | Cc1ccc(Cn2c3c(C(N(Cc4nc(c5cccc(C)c5)no4)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4502 |
| logD: | 3.4502 |
| logSw: | -3.5215 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.365 |
| InChI Key: | HQCVHOSATLKUBP-UHFFFAOYSA-N |