octyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
octyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
octyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0406 |
| Compound Name: | octyl 7-(2,3-dimethoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 428.53 |
| Molecular Formula: | C23 H32 N4 O4 |
| Smiles: | CCCCCCCCOC(C1C(c2cccc(c2OC)OC)n2c(NC=1C)ncn2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.319 |
| logD: | 5.0307 |
| logSw: | -5.1191 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.385 |
| InChI Key: | OWRVKVNHTCWVKU-FQEVSTJZSA-N |