4-({[(4-bromophenyl)methyl][(2-chlorophenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(4-bromophenyl)methyl][(2-chlorophenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(4-bromophenyl)methyl][(2-chlorophenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-3990 |
| Compound Name: | 4-({[(4-bromophenyl)methyl][(2-chlorophenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 489.82 |
| Molecular Formula: | C22 H18 Br Cl N2 O2 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)N(Cc1ccc(cc1)[Br])C(Nc1ccccc1[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.1798 |
| logD: | 3.2083 |
| logSw: | -5.7185 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.138 |
| InChI Key: | IKDCALXLEFCDIX-UHFFFAOYSA-N |