3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-bromophenyl)propanamide
Chemical Structure Depiction of
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-bromophenyl)propanamide
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-bromophenyl)propanamide
Compound characteristics
| Compound ID: | D481-0030 |
| Compound Name: | 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(4-bromophenyl)propanamide |
| Molecular Weight: | 481.35 |
| Molecular Formula: | C22 H21 Br N6 O2 |
| Smiles: | CC1=C(CCC(Nc2ccc(cc2)[Br])=O)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5876 |
| logD: | 3.5444 |
| logSw: | -3.7152 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.77 |
| InChI Key: | HJOHDIANENHCFG-UHFFFAOYSA-N |