4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4538 |
| Compound Name: | 4-({[(4-chlorophenyl)methyl][(4-phenoxyphenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 503.02 |
| Molecular Formula: | C28 H23 Cl N2 O3 S |
| Smiles: | C(c1ccc(cc1)C(O)=O)N(Cc1ccc(cc1)[Cl])C(Nc1ccc(cc1)Oc1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.2363 |
| logD: | 4.2648 |
| logSw: | -6.2202 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.584 |
| InChI Key: | TZYSYSOGUSCHTE-UHFFFAOYSA-N |