ethyl 2-(butylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 2-(butylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 2-(butylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1317 |
| Compound Name: | ethyl 2-(butylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 406.93 |
| Molecular Formula: | C19 H23 Cl N4 O2 S |
| Smiles: | CCCCSc1nc2NC(C)=C(C(c3ccc(cc3)[Cl])n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4223 |
| logD: | 5.254 |
| logSw: | -6.0765 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.525 |
| InChI Key: | LEYXVTFMLYTEHS-INIZCTEOSA-N |