N-[(2-methoxyphenyl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Chemical Structure Depiction of
N-[(2-methoxyphenyl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
N-[(2-methoxyphenyl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Compound characteristics
| Compound ID: | C684-0089 |
| Compound Name: | N-[(2-methoxyphenyl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C28 H25 N7 O2 |
| Smiles: | COc1ccccc1CNC(CCCc1nnc2n1c1ccccc1c1nc(c3ccccc3)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7236 |
| logD: | 3.3109 |
| logSw: | -4.1333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.471 |
| InChI Key: | PPPDPYXUAJOKEX-UHFFFAOYSA-N |