N-benzyl-3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
Chemical Structure Depiction of
N-benzyl-3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
N-benzyl-3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide
Compound characteristics
| Compound ID: | D481-0025 |
| Compound Name: | N-benzyl-3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]propanamide |
| Molecular Weight: | 416.48 |
| Molecular Formula: | C23 H24 N6 O2 |
| Smiles: | CC1=C(CCC(NCc2ccccc2)=O)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.454 |
| logD: | 2.4108 |
| logSw: | -2.7621 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.092 |
| InChI Key: | LJFKRGXYMNTOMS-UHFFFAOYSA-N |