4-({[(4-bromophenyl)methyl][(3-chloro-4-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(4-bromophenyl)methyl][(3-chloro-4-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(4-bromophenyl)methyl][(3-chloro-4-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-3992 |
| Compound Name: | 4-({[(4-bromophenyl)methyl][(3-chloro-4-methylphenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 503.84 |
| Molecular Formula: | C23 H20 Br Cl N2 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 7.1755 |
| logD: | 4.2041 |
| logSw: | -5.9772 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.836 |
| InChI Key: | QAMYUGLSBUOLMS-UHFFFAOYSA-N |