7-(3-bromophenyl)-5-methyl-2-(methylsulfanyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(3-bromophenyl)-5-methyl-2-(methylsulfanyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(3-bromophenyl)-5-methyl-2-(methylsulfanyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C314-0237 |
| Compound Name: | 7-(3-bromophenyl)-5-methyl-2-(methylsulfanyl)-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 456.36 |
| Molecular Formula: | C20 H18 Br N5 O S |
| Smiles: | CC1=C(C(c2cccc(c2)[Br])n2c(N1)nc(n2)SC)C(Nc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.735 |
| logD: | 4.7341 |
| logSw: | -4.5558 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.862 |
| InChI Key: | KUPHOTWCIJKHGD-KRWDZBQOSA-N |