3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]prop-2-enamide
Chemical Structure Depiction of
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]prop-2-enamide
3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]prop-2-enamide
Compound characteristics
| Compound ID: | Y508-2967 |
| Compound Name: | 3-(3,4-dimethoxyphenyl)-N-[4-(pyridin-2-yl)piperazine-1-carbothioyl]prop-2-enamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | COc1ccc(/C=C/C(NC(N2CCN(CC2)c2ccccn2)=S)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.3831 |
| logD: | 3.3742 |
| logSw: | -3.8088 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.135 |
| InChI Key: | LICXTCHGINAAJW-UHFFFAOYSA-N |