2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G113-0018 |
| Compound Name: | 2-(benzylsulfanyl)-7-(3-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 562.49 |
| Molecular Formula: | C27 H24 Br N5 O2 S |
| Smiles: | CC1=C(C(c2cccc(c2)[Br])n2c(N1)nc(n2)SCc1ccccc1)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1155 |
| logD: | 6.1149 |
| logSw: | -5.477 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.134 |
| InChI Key: | PHBTYRHLURULSI-DEOSSOPVSA-N |