methyl 4-{[(3-phenylprop-2-enoyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(3-phenylprop-2-enoyl)carbamothioyl]amino}benzoate
methyl 4-{[(3-phenylprop-2-enoyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 8007-5815 |
| Compound Name: | methyl 4-{[(3-phenylprop-2-enoyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 340.4 |
| Molecular Formula: | C18 H16 N2 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(NC(/C=C/c1ccccc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0214 |
| logD: | 4.0208 |
| logSw: | -4.3314 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.2 |
| InChI Key: | ZHXGIKRMSKJFIO-UHFFFAOYSA-N |