4-({[(4-chlorophenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(4-chlorophenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(4-chlorophenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4899 |
| Compound Name: | 4-({[(4-chlorophenyl)methyl][(2-ethyl-6-methylphenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 453 |
| Molecular Formula: | C25 H25 Cl N2 O2 S |
| Smiles: | CCc1cccc(C)c1NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 6.3767 |
| logD: | 3.4052 |
| logSw: | -6.0192 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 37.44 |
| InChI Key: | JWBRMESKSNUJPN-UHFFFAOYSA-N |