3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide
Chemical Structure Depiction of
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide
Compound characteristics
| Compound ID: | C200-2347 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-{3-[ethyl(phenyl)amino]propyl}propanamide |
| Molecular Weight: | 508.62 |
| Molecular Formula: | C30 H32 N6 O2 |
| Smiles: | CCN(CCCNC(CCc1nnc2N(Cc3ccccc3)C(c3ccccc3n12)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.4469 |
| logD: | 3.4177 |
| logSw: | -3.8217 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.009 |
| InChI Key: | JRAPTJSNFBKPPS-UHFFFAOYSA-N |