ethyl 5-methyl-7-(4-nitrophenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 5-methyl-7-(4-nitrophenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 5-methyl-7-(4-nitrophenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-0912 |
| Compound Name: | ethyl 5-methyl-7-(4-nitrophenyl)-2-(pentylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | CCCCCSc1nc2NC(C)=C(C(c3ccc(cc3)[N+]([O-])=O)n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4339 |
| logD: | 5.2655 |
| logSw: | -5.1587 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.906 |
| InChI Key: | ROAHELRALOHMOL-KRWDZBQOSA-N |