N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide
Compound characteristics
| Compound ID: | C684-0087 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(10-phenylbis[1,2,4]triazolo[4,3-a:1',5'-c]quinazolin-3-yl)butanamide |
| Molecular Weight: | 505.54 |
| Molecular Formula: | C28 H23 N7 O3 |
| Smiles: | C(CC(NCc1ccc2c(c1)OCO2)=O)Cc1nnc2n1c1ccccc1c1nc(c3ccccc3)nn12 |
| Stereo: | ACHIRAL |
| logP: | 3.4154 |
| logD: | 3.0027 |
| logSw: | -3.8126 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.956 |
| InChI Key: | WERPHEFQYGKLJU-UHFFFAOYSA-N |