4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4898 |
| Compound Name: | 4-({[(5-chloro-2-methoxyphenyl)carbamothioyl][(4-chlorophenyl)methyl]amino}methyl)benzoic acid |
| Molecular Weight: | 475.39 |
| Molecular Formula: | C23 H20 Cl2 N2 O3 S |
| Smiles: | COc1ccc(cc1NC(N(Cc1ccc(cc1)C(O)=O)Cc1ccc(cc1)[Cl])=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.1427 |
| logD: | 3.1712 |
| logSw: | -5.9163 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 45.769 |
| InChI Key: | IDPMDHBVEMMGJY-UHFFFAOYSA-N |