ethyl 5-chloro-3-(4-ethoxy-4-oxobutanoyl)-1H-indole-2-carboxylate
Chemical Structure Depiction of
ethyl 5-chloro-3-(4-ethoxy-4-oxobutanoyl)-1H-indole-2-carboxylate
ethyl 5-chloro-3-(4-ethoxy-4-oxobutanoyl)-1H-indole-2-carboxylate
Compound characteristics
| Compound ID: | C066-4252 |
| Compound Name: | ethyl 5-chloro-3-(4-ethoxy-4-oxobutanoyl)-1H-indole-2-carboxylate |
| Molecular Weight: | 351.78 |
| Molecular Formula: | C17 H18 Cl N O5 |
| Smiles: | CCOC(CCC(c1c2cc(ccc2[nH]c1C(=O)OCC)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3839 |
| logD: | 3.3839 |
| logSw: | -4.1531 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.517 |
| InChI Key: | KATNVHUEWGUXAY-UHFFFAOYSA-N |