3-(2H-1,3-benzodioxol-5-yl)-N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]prop-2-enamide
Chemical Structure Depiction of
3-(2H-1,3-benzodioxol-5-yl)-N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]prop-2-enamide
Compound characteristics
| Compound ID: | K415-0077 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-[4-(5-phenyl-1H-1,2,3-triazol-1-yl)phenyl]prop-2-enamide |
| Molecular Weight: | 410.43 |
| Molecular Formula: | C24 H18 N4 O3 |
| Smiles: | C1Oc2ccc(/C=C/C(Nc3ccc(cc3)n3c(cnn3)c3ccccc3)=O)cc2O1 |
| Stereo: | ACHIRAL |
| logP: | 4.9659 |
| logD: | 4.9659 |
| logSw: | -4.7716 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.216 |
| InChI Key: | YPUMUYSXGMJZAC-UHFFFAOYSA-N |