4-({[(3-bromophenyl)methyl][(2,5-dimethylphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(3-bromophenyl)methyl][(2,5-dimethylphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(3-bromophenyl)methyl][(2,5-dimethylphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4731 |
| Compound Name: | 4-({[(3-bromophenyl)methyl][(2,5-dimethylphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 489.47 |
| Molecular Formula: | C24 H29 Br N2 O2 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N(CC1CCC(CC1)C(O)=O)Cc1cccc(c1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 5.6298 |
| logD: | 3.0695 |
| logSw: | -5.2066 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.33 |
| InChI Key: | PZIDDFJWPWQCMT-UHFFFAOYSA-N |