5-(2H-1,3-benzodioxol-5-yl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Chemical Structure Depiction of
5-(2H-1,3-benzodioxol-5-yl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
5-(2H-1,3-benzodioxol-5-yl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
Compound characteristics
| Compound ID: | K832-1136 |
| Compound Name: | 5-(2H-1,3-benzodioxol-5-yl)-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C19 H16 N4 O2 |
| Smiles: | Cc1ccc(cc1)C1C=C(c2ccc3c(c2)OCO3)Nc2ncnn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0243 |
| logD: | 4.0241 |
| logSw: | -4.0819 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.715 |
| InChI Key: | SPEMZWAGAJZQEX-MRXNPFEDSA-N |