methyl 4-[5-(3,4-dimethylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(3,4-dimethylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
methyl 4-[5-(3,4-dimethylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
Compound characteristics
| Compound ID: | K832-4477 |
| Compound Name: | methyl 4-[5-(3,4-dimethylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate |
| Molecular Weight: | 360.41 |
| Molecular Formula: | C21 H20 N4 O2 |
| Smiles: | Cc1ccc(cc1C)C1=CC(c2ccc(cc2)C(=O)OC)n2c(N1)ncn2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7551 |
| logD: | 4.7505 |
| logSw: | -4.5426 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.774 |
| InChI Key: | AWDKCRUDAUZCIZ-IBGZPJMESA-N |