2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | C118-0353 |
| Compound Name: | 2-(benzylsulfanyl)-7-(3-bromophenyl)-5-methyl-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: | [H]N([H])C(C1C(c2cccc(c2)[Br])n2c(NC=1C)nc(n2)SCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9266 |
| logD: | 3.9251 |
| logSw: | -4.061 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 69.558 |
| InChI Key: | SGDFIMVRQCRHQX-KRWDZBQOSA-N |