3-[4,4-bis(ethoxycarbonyl)octanamido]benzoic acid
Chemical Structure Depiction of
3-[4,4-bis(ethoxycarbonyl)octanamido]benzoic acid
3-[4,4-bis(ethoxycarbonyl)octanamido]benzoic acid
Compound characteristics
| Compound ID: | 3886-0953 |
| Compound Name: | 3-[4,4-bis(ethoxycarbonyl)octanamido]benzoic acid |
| Molecular Weight: | 407.46 |
| Molecular Formula: | C21 H29 N O7 |
| Smiles: | CCCCC(CCC(Nc1cccc(c1)C(O)=O)=O)(C(=O)OCC)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6003 |
| logD: | 1.7145 |
| logSw: | -4.2282 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.303 |
| InChI Key: | ARRKBGGQBBHODB-UHFFFAOYSA-N |