methyl 7-(2,4-dichlorophenyl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
methyl 7-(2,4-dichlorophenyl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
methyl 7-(2,4-dichlorophenyl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K832-3691 |
| Compound Name: | methyl 7-(2,4-dichlorophenyl)-5-(methoxymethyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 369.2 |
| Molecular Formula: | C15 H14 Cl2 N4 O3 |
| Smiles: | COCC1=C(C(c2ccc(cc2[Cl])[Cl])n2c(N1)ncn2)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2366 |
| logD: | 2.9322 |
| logSw: | -3.4708 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.195 |
| InChI Key: | ZQCTXMQXMBDTRI-ZDUSSCGKSA-N |