3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(naphthalen-2-yl)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-(naphthalen-2-yl)propanamide
3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(naphthalen-2-yl)propanamide
Compound characteristics
| Compound ID: | D481-0045 |
| Compound Name: | 3-[2-(benzylamino)-5-methyl-7-oxo-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(naphthalen-2-yl)propanamide |
| Molecular Weight: | 452.52 |
| Molecular Formula: | C26 H24 N6 O2 |
| Smiles: | CC1=C(CCC(Nc2ccc3ccccc3c2)=O)C(n2c(N1)nc(NCc1ccccc1)n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9695 |
| logD: | 3.9263 |
| logSw: | -4.1369 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.498 |
| InChI Key: | JXOJBZQNVRTJIV-UHFFFAOYSA-N |