3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide
Chemical Structure Depiction of
3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide
3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide
Compound characteristics
| Compound ID: | 1309-1278 |
| Compound Name: | 3-phenyl-N-(2,2,2-trichloro-1-{[(quinolin-8-yl)carbamothioyl]amino}ethyl)prop-2-enamide |
| Molecular Weight: | 479.81 |
| Molecular Formula: | C21 H17 Cl3 N4 O S |
| Smiles: | C(=C/c1ccccc1)\C(NC(C([Cl])([Cl])[Cl])NC(Nc1cccc2cccnc12)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2577 |
| logD: | 5.1861 |
| logSw: | -5.9816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 51.982 |
| InChI Key: | LCOIAYJMPKXARU-IBGZPJMESA-N |