methyl 4-({[2-chloro-5-(methylsulfanyl)benzoyl]carbamothioyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({[2-chloro-5-(methylsulfanyl)benzoyl]carbamothioyl}amino)benzoate
methyl 4-({[2-chloro-5-(methylsulfanyl)benzoyl]carbamothioyl}amino)benzoate
Compound characteristics
| Compound ID: | Y501-0148 |
| Compound Name: | methyl 4-({[2-chloro-5-(methylsulfanyl)benzoyl]carbamothioyl}amino)benzoate |
| Molecular Weight: | 394.9 |
| Molecular Formula: | C17 H15 Cl N2 O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(NC(c1cc(ccc1[Cl])SC)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6704 |
| logD: | 4.669 |
| logSw: | -4.9442 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.414 |
| InChI Key: | LRIWLDZCXSTTFF-UHFFFAOYSA-N |