3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
Chemical Structure Depiction of
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
Compound characteristics
| Compound ID: | C741-0077 |
| Compound Name: | 3-(4-benzyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)-N-[2-(4-methylphenyl)ethyl]propanamide |
| Molecular Weight: | 465.55 |
| Molecular Formula: | C28 H27 N5 O2 |
| Smiles: | Cc1ccc(CCNC(CCc2nnc3N(Cc4ccccc4)C(c4ccccc4n23)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0976 |
| logD: | 3.0976 |
| logSw: | -3.5602 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.019 |
| InChI Key: | NKSVOVFXBSGLTB-UHFFFAOYSA-N |