N-(2,5-dimethoxyphenyl)-4-(3-phenylprop-2-en-1-yl)piperazine-1-carbothioamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-4-(3-phenylprop-2-en-1-yl)piperazine-1-carbothioamide
N-(2,5-dimethoxyphenyl)-4-(3-phenylprop-2-en-1-yl)piperazine-1-carbothioamide
Compound characteristics
| Compound ID: | Y600-0944 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-4-(3-phenylprop-2-en-1-yl)piperazine-1-carbothioamide |
| Molecular Weight: | 397.54 |
| Molecular Formula: | C22 H27 N3 O2 S |
| Smiles: | COc1ccc(c(c1)NC(N1CCN(CC1)C/C=C/c1ccccc1)=S)OC |
| Stereo: | ACHIRAL |
| logP: | 4.3672 |
| logD: | 4.3313 |
| logSw: | -4.2886 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.1319 |
| InChI Key: | SMXYPJQHZWFHJO-UHFFFAOYSA-N |