methyl 4-[5-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
methyl 4-[5-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate
Compound characteristics
| Compound ID: | K832-3620 |
| Compound Name: | methyl 4-[5-(4-methoxyphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]benzoate |
| Molecular Weight: | 362.39 |
| Molecular Formula: | C20 H18 N4 O3 |
| Smiles: | COC(c1ccc(cc1)C1C=C(c2ccc(cc2)OC)Nc2ncnn12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7774 |
| logD: | 3.7769 |
| logSw: | -4.0803 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.318 |
| InChI Key: | WSXAWPJWGRCTBC-SFHVURJKSA-N |