2-methoxyethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
2-methoxyethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-1703 |
| Compound Name: | 2-methoxyethyl 2-{[(2-chlorophenyl)methyl]sulfanyl}-7-(4-ethylphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 499.03 |
| Molecular Formula: | C25 H27 Cl N4 O3 S |
| Smiles: | CCc1ccc(cc1)C1C(=C(C)Nc2nc(nn12)SCc1ccccc1[Cl])C(=O)OCCOC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5591 |
| logD: | 5.4581 |
| logSw: | -6.0002 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.89 |
| InChI Key: | GGPPGKJJEJKWJC-QFIPXVFZSA-N |