4-[({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid
Chemical Structure Depiction of
4-[({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid
4-[({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid
Compound characteristics
| Compound ID: | D665-0212 |
| Compound Name: | 4-[({[5-(2,5-dichlorophenyl)furan-2-yl]methyl}amino)methyl]benzoic acid |
| Molecular Weight: | 412.7 |
| Molecular Formula: | C19 H15 Cl2 N O3 |
| Salt: | HCl |
| Smiles: | [H]N(Cc1ccc(cc1)C(O)=O)Cc1ccc(c2cc(ccc2[Cl])[Cl])o1 |
| Stereo: | ACHIRAL |
| logP: | 5.0923 |
| logD: | 5.0923 |
| logSw: | -5.0664 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.982 |
| InChI Key: | IRIDFLTZFZSBKE-UHFFFAOYSA-N |