heptyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
heptyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
heptyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0573 |
| Compound Name: | heptyl 7-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CCCCCCCOC(C1C(c2ccc(cc2)OC)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9389 |
| logD: | 4.6506 |
| logSw: | -4.6416 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.581 |
| InChI Key: | FTCCRAGDZLEWHS-IBGZPJMESA-N |