4-({[(4-bromophenyl)methyl][(2,6-dimethylphenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(4-bromophenyl)methyl][(2,6-dimethylphenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(4-bromophenyl)methyl][(2,6-dimethylphenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4886 |
| Compound Name: | 4-({[(4-bromophenyl)methyl][(2,6-dimethylphenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 483.43 |
| Molecular Formula: | C24 H23 Br N2 O2 S |
| Smiles: | Cc1cccc(C)c1NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 6.1319 |
| logD: | 3.1604 |
| logSw: | -5.4041 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.44 |
| InChI Key: | LBKPYITXOOOOII-UHFFFAOYSA-N |