methyl 4-({[3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
methyl 4-({[3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | 8002-4596 |
| Compound Name: | methyl 4-({[3-(4-fluorophenyl)prop-2-enoyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 358.39 |
| Molecular Formula: | C18 H15 F N2 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(NC(/C=C/c1ccc(cc1)F)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0462 |
| logD: | 4.0456 |
| logSw: | -4.3308 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.2 |
| InChI Key: | NZRUYFKQGPLCPY-NYYWCZLTSA-N |