7-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Chemical Structure Depiction of
7-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
7-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | G113-0002 |
| Compound Name: | 7-(4-bromophenyl)-N-(4-methoxyphenyl)-5-methyl-2-(methylsulfanyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C21 H20 Br N5 O2 S |
| Smiles: | CC1=C(C(c2ccc(cc2)[Br])n2c(N1)nc(n2)SC)C(Nc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8967 |
| logD: | 4.8957 |
| logSw: | -4.6626 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.406 |
| InChI Key: | FDKFICACTYRLDN-SFHVURJKSA-N |