methyl (4-{[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbothioyl]amino}phenyl)acetate
Chemical Structure Depiction of
methyl (4-{[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbothioyl]amino}phenyl)acetate
methyl (4-{[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbothioyl]amino}phenyl)acetate
Compound characteristics
| Compound ID: | Y600-1109 |
| Compound Name: | methyl (4-{[4-(3-phenylprop-2-en-1-yl)piperazine-1-carbothioyl]amino}phenyl)acetate |
| Molecular Weight: | 409.55 |
| Molecular Formula: | C23 H27 N3 O2 S |
| Smiles: | COC(Cc1ccc(cc1)NC(N1CCN(CC1)C/C=C/c1ccccc1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9428 |
| logD: | 3.9069 |
| logSw: | -4.0828 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.235 |
| InChI Key: | BSPAPLQILOJBGL-UHFFFAOYSA-N |