4-({[(3-bromophenyl)methyl][(2-chlorophenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(3-bromophenyl)methyl][(2-chlorophenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(3-bromophenyl)methyl][(2-chlorophenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4745 |
| Compound Name: | 4-({[(3-bromophenyl)methyl][(2-chlorophenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 495.86 |
| Molecular Formula: | C22 H24 Br Cl N2 O2 S |
| Smiles: | C1CC(CCC1CN(Cc1cccc(c1)[Br])C(Nc1ccccc1[Cl])=S)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6394 |
| logD: | 3.0791 |
| logSw: | -5.5684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.33 |
| InChI Key: | YOWRIBRAHUKTBN-UHFFFAOYSA-N |