ethyl 7-(4-bromophenyl)-2-(butylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 7-(4-bromophenyl)-2-(butylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
ethyl 7-(4-bromophenyl)-2-(butylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | C202-1320 |
| Compound Name: | ethyl 7-(4-bromophenyl)-2-(butylsulfanyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate |
| Molecular Weight: | 451.38 |
| Molecular Formula: | C19 H23 Br N4 O2 S |
| Smiles: | CCCCSc1nc2NC(C)=C(C(c3ccc(cc3)[Br])n2n1)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6615 |
| logD: | 5.4932 |
| logSw: | -5.3255 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.525 |
| InChI Key: | NTONKDAIIBDBQJ-INIZCTEOSA-N |