N-[2-(4-methylphenyl)ethyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Chemical Structure Depiction of
N-[2-(4-methylphenyl)ethyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
N-[2-(4-methylphenyl)ethyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Compound characteristics
| Compound ID: | C684-0133 |
| Compound Name: | N-[2-(4-methylphenyl)ethyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide |
| Molecular Weight: | 489.58 |
| Molecular Formula: | C29 H27 N7 O |
| Smiles: | Cc1ccc(CCNC(CCCc2nnc3n2c2ccccc2c2nc(c4ccccc4)nn23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7004 |
| logD: | 3.2877 |
| logSw: | -3.9291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.682 |
| InChI Key: | KTJQZHLVZKHKQZ-UHFFFAOYSA-N |