4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4896 |
| Compound Name: | 4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 477.02 |
| Molecular Formula: | C24 H29 Cl N2 O4 S |
| Smiles: | COc1ccc(CN(CC2CCC(CC2)C(O)=O)C(Nc2cc(ccc2OC)[Cl])=S)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1129 |
| logD: | 2.5526 |
| logSw: | -5.2514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.505 |
| InChI Key: | DLXORCOURIUMOB-UHFFFAOYSA-N |