ethyl 4-({[2-chloro-5-(methylsulfanyl)benzoyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-({[2-chloro-5-(methylsulfanyl)benzoyl]carbamothioyl}amino)benzoate
ethyl 4-({[2-chloro-5-(methylsulfanyl)benzoyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | Y501-0147 |
| Compound Name: | ethyl 4-({[2-chloro-5-(methylsulfanyl)benzoyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 408.92 |
| Molecular Formula: | C18 H17 Cl N2 O3 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(NC(c1cc(ccc1[Cl])SC)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1811 |
| logD: | 5.1797 |
| logSw: | -5.4984 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.993 |
| InChI Key: | NBQBBUSTPKVICC-UHFFFAOYSA-N |