4-({[(4-methoxyphenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-({[(4-methoxyphenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
4-({[(4-methoxyphenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid
Compound characteristics
Compound ID: | K784-4539 |
Compound Name: | 4-({[(4-methoxyphenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)cyclohexane-1-carboxylic acid |
Molecular Weight: | 504.65 |
Molecular Formula: | C29 H32 N2 O4 S |
Smiles: | COc1ccc(CN(CC2CCC(CC2)C(O)=O)C(Nc2ccc(cc2)Oc2ccccc2)=S)cc1 |
Stereo: | ACHIRAL |
logP: | 6.2065 |
logD: | 3.6462 |
logSw: | -5.5187 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 53.32 |
InChI Key: | ACECUVSREIEHJO-UHFFFAOYSA-N |