3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]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-[3-(trifluoromethyl)phenyl]propanamide
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
Compound characteristics
| Compound ID: | D481-0017 |
| Compound Name: | 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]propanamide |
| Molecular Weight: | 470.45 |
| Molecular Formula: | C23 H21 F3 N6 O2 |
| Smiles: | CC1=C(CCC(Nc2cccc(c2)C(F)(F)F)=O)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.797 |
| logD: | 3.7538 |
| logSw: | -4.0265 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.77 |
| InChI Key: | DTFUKLCJRXALBD-UHFFFAOYSA-N |