4-{[(4-bromo-2-chlorophenyl)carbamamido]methyl}benzoic acid
Chemical Structure Depiction of
4-{[(4-bromo-2-chlorophenyl)carbamamido]methyl}benzoic acid
4-{[(4-bromo-2-chlorophenyl)carbamamido]methyl}benzoic acid
Compound characteristics
| Compound ID: | Y205-3001 |
| Compound Name: | 4-{[(4-bromo-2-chlorophenyl)carbamamido]methyl}benzoic acid |
| Molecular Weight: | 383.63 |
| Molecular Formula: | C15 H12 Br Cl N2 O3 |
| Smiles: | C(c1ccc(cc1)C(O)=O)NC(Nc1ccc(cc1[Cl])[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8381 |
| logD: | 0.8666 |
| logSw: | -3.9816 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.574 |
| InChI Key: | MSMSHENVTVYVLG-UHFFFAOYSA-N |