4-[([(4-bromophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
Chemical Structure Depiction of
4-[([(4-bromophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
4-[([(4-bromophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid
Compound characteristics
| Compound ID: | K784-4885 |
| Compound Name: | 4-[([(4-bromophenyl)methyl]{[3-(methylsulfanyl)phenyl]carbamothioyl}amino)methyl]benzoic acid |
| Molecular Weight: | 501.46 |
| Molecular Formula: | C23 H21 Br N2 O2 S2 |
| Smiles: | CSc1cccc(c1)NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 6.2463 |
| logD: | 3.2748 |
| logSw: | -5.3607 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.836 |
| InChI Key: | FXPBNRHLWWYMHF-UHFFFAOYSA-N |