4-({[(3-bromophenyl)methyl][(2-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(3-bromophenyl)methyl][(2-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(3-bromophenyl)methyl][(2-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4923 |
| Compound Name: | 4-({[(3-bromophenyl)methyl][(2-methoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 491.45 |
| Molecular Formula: | C23 H27 Br N2 O3 S |
| Smiles: | COc1ccccc1NC(N(CC1CCC(CC1)C(O)=O)Cc1cccc(c1)[Br])=S |
| Stereo: | ACHIRAL |
| logP: | 5.3418 |
| logD: | 2.7814 |
| logSw: | -5.2289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.961 |
| InChI Key: | HYAZKYUSZJDSDI-UHFFFAOYSA-N |