methyl [3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
Chemical Structure Depiction of
methyl [3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
methyl [3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate
Compound characteristics
| Compound ID: | C656-0372 |
| Compound Name: | methyl [3-(4-methylphenyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetate |
| Molecular Weight: | 299.29 |
| Molecular Formula: | C14 H13 N5 O3 |
| Smiles: | Cc1ccc(cc1)n1c2c(C(N(CC(=O)OC)C=N2)=O)nn1 |
| Stereo: | ACHIRAL |
| logP: | 0.8221 |
| logD: | 0.8221 |
| logSw: | -1.5681 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 74.009 |
| InChI Key: | SQXURTFFTACRNO-UHFFFAOYSA-N |