3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-chlorophenyl)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-(2-chlorophenyl)propanamide
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-chlorophenyl)propanamide
Compound characteristics
| Compound ID: | D481-0022 |
| Compound Name: | 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2-chlorophenyl)propanamide |
| Molecular Weight: | 436.9 |
| Molecular Formula: | C22 H21 Cl N6 O2 |
| Smiles: | CC1=C(CCC(Nc2ccccc2[Cl])=O)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8045 |
| logD: | 2.7613 |
| logSw: | -3.3823 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.072 |
| InChI Key: | LNSOXBNZLOYKEX-UHFFFAOYSA-N |