ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | Y020-2062 |
| Compound Name: | ethyl 2-{[(4-chlorophenyl)methyl]sulfanyl}-7-propyl[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 390.89 |
| Molecular Formula: | C18 H19 Cl N4 O2 S |
| Smiles: | CCCc1c(cnc2nc(nn12)SCc1ccc(cc1)[Cl])C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.3161 |
| logD: | 4.3161 |
| logSw: | -4.5584 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.035 |
| InChI Key: | VBKLMOQXWQKDMX-UHFFFAOYSA-N |