4-({[(2,5-dimethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(2,5-dimethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(2,5-dimethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | K784-4155 |
| Compound Name: | 4-({[(2,5-dimethylphenyl)carbamothioyl][(4-methoxyphenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid |
| Molecular Weight: | 440.6 |
| Molecular Formula: | C25 H32 N2 O3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(N(CC1CCC(CC1)C(O)=O)Cc1ccc(cc1)OC)=S |
| Stereo: | ACHIRAL |
| logP: | 4.9013 |
| logD: | 2.3409 |
| logSw: | -4.4658 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.874 |
| InChI Key: | JTTYJXZZBWRKTO-UHFFFAOYSA-N |