3-[(4-methylphenyl)methyl]-6-{[3-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-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: | F830-0234 |
| Compound Name: | 3-[(4-methylphenyl)methyl]-6-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}-3,6-dihydro-7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one |
| Molecular Weight: | 405.44 |
| Molecular Formula: | C19 H15 N7 O2 S |
| Smiles: | Cc1ccc(Cn2c3c(C(N(Cc4nc(c5cccs5)no4)C=N3)=O)nn2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.7424 |
| logD: | 2.7424 |
| logSw: | -2.8801 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 85.383 |
| InChI Key: | HNDNIKHNULWYLJ-UHFFFAOYSA-N |