ethyl 7-(3,4-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(3,4-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(3,4-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-2216 |
| Compound Name: | ethyl 7-(3,4-dimethoxyphenyl)-2-(hexylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 460.59 |
| Molecular Formula: | C23 H32 N4 O4 S |
| Smiles: | CCCCCCSc1nc2NC(C)=C(C(c3ccc(c(c3)OC)OC)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6667 |
| logD: | 5.4984 |
| logSw: | -5.1875 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.785 |
| InChI Key: | VXLRTSDMQYHJPV-FQEVSTJZSA-N |