heptyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
heptyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
heptyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0585 |
| Compound Name: | heptyl 7-(4-hydroxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | CCCCCCCOC(C1C(c2ccc(cc2)O)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3367 |
| logD: | 4.0484 |
| logSw: | -4.1123 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.655 |
| InChI Key: | UJQUYNFLZQOZQQ-SFHVURJKSA-N |