N~3~-[(2-chloro-4-fluorophenyl)methyl]-N~1~,N~1~-diethylpropane-1,3-diamine--oxalic acid (1/1)
Chemical Structure Depiction of
N~3~-[(2-chloro-4-fluorophenyl)methyl]-N~1~,N~1~-diethylpropane-1,3-diamine--oxalic acid (1/1)
N~3~-[(2-chloro-4-fluorophenyl)methyl]-N~1~,N~1~-diethylpropane-1,3-diamine--oxalic acid (1/1)
Compound characteristics
| Compound ID: | K786-4772 |
| Compound Name: | N~3~-[(2-chloro-4-fluorophenyl)methyl]-N~1~,N~1~-diethylpropane-1,3-diamine--oxalic acid (1/1) |
| Molecular Weight: | 362.83 |
| Molecular Formula: | C14 H22 Cl F N2 |
| Salt: | HOOCCOOH |
| Smiles: | CCN(CC)CCCNCc1ccc(cc1[Cl])F |
| Stereo: | ACHIRAL |
| logP: | 3.0247 |
| logD: | 0.8003 |
| logSw: | -3.4742 |
| Hydrogen bond acceptors count: | 2 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.5284 |
| InChI Key: | HRVQJBJPRHXDEA-UHFFFAOYSA-N |