4-({[(3,4-dimethoxyphenyl)methyl][(2-fluorophenyl)carbamothioyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(3,4-dimethoxyphenyl)methyl][(2-fluorophenyl)carbamothioyl]amino}methyl)benzoic acid
4-({[(3,4-dimethoxyphenyl)methyl][(2-fluorophenyl)carbamothioyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | K784-4711 |
| Compound Name: | 4-({[(3,4-dimethoxyphenyl)methyl][(2-fluorophenyl)carbamothioyl]amino}methyl)benzoic acid |
| Molecular Weight: | 454.52 |
| Molecular Formula: | C24 H23 F N2 O4 S |
| Smiles: | COc1ccc(CN(Cc2ccc(cc2)C(O)=O)C(Nc2ccccc2F)=S)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.6482 |
| logD: | 1.6767 |
| logSw: | -4.3575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.399 |
| InChI Key: | LLQMZCMQMNEQRI-UHFFFAOYSA-N |