3-{4-[(1,3-dichloropropan-2-yl)oxy]-4-oxobutanamido}benzoic acid
Chemical Structure Depiction of
3-{4-[(1,3-dichloropropan-2-yl)oxy]-4-oxobutanamido}benzoic acid
3-{4-[(1,3-dichloropropan-2-yl)oxy]-4-oxobutanamido}benzoic acid
Compound characteristics
| Compound ID: | Y508-8399 |
| Compound Name: | 3-{4-[(1,3-dichloropropan-2-yl)oxy]-4-oxobutanamido}benzoic acid |
| Molecular Weight: | 348.18 |
| Molecular Formula: | C14 H15 Cl2 N O5 |
| Smiles: | C(CC(=O)OC(C[Cl])C[Cl])C(Nc1cccc(c1)C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4912 |
| logD: | -0.3946 |
| logSw: | -2.7756 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.4 |
| InChI Key: | NAKXVUXYSCNELW-UHFFFAOYSA-N |