4-({[(3-bromophenyl)methyl][(3-chloro-4-methylphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(3-bromophenyl)methyl][(3-chloro-4-methylphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(3-bromophenyl)methyl][(3-chloro-4-methylphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4560 |
| Compound Name: | 4-({[(3-bromophenyl)methyl][(3-chloro-4-methylphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 509.89 |
| Molecular Formula: | C23 H26 Br Cl N2 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(N(CC1CCC(CC1)C(O)=O)Cc1cccc(c1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 6.6352 |
| logD: | 4.0749 |
| logSw: | -5.847 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.028 |
| InChI Key: | VAKQHXOOXFNKTN-UHFFFAOYSA-N |