3-(2H-1,3-benzodioxol-5-yl)-N-{4-[5-(3,4-dimethoxyphenyl)-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-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}prop-2-enamide
3-(2H-1,3-benzodioxol-5-yl)-N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}prop-2-enamide
Compound characteristics
| Compound ID: | K415-0193 |
| Compound Name: | 3-(2H-1,3-benzodioxol-5-yl)-N-{4-[5-(3,4-dimethoxyphenyl)-1H-1,2,3-triazol-1-yl]phenyl}prop-2-enamide |
| Molecular Weight: | 470.48 |
| Molecular Formula: | C26 H22 N4 O5 |
| Smiles: | COc1ccc(cc1OC)c1cnnn1c1ccc(cc1)NC(/C=C/c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5716 |
| logD: | 4.5715 |
| logSw: | -4.3362 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.477 |
| InChI Key: | CKTAQOCKDCOXAD-UHFFFAOYSA-N |