ethyl 1-[3-(cyclooctylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(cyclooctylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
ethyl 1-[3-(cyclooctylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1718 |
| Compound Name: | ethyl 1-[3-(cyclooctylamino)-3-oxopropyl]-5-(4-methoxyphenyl)-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 440.58 |
| Molecular Formula: | C26 H36 N2 O4 |
| Smiles: | CCOC(c1cc(c2ccc(cc2)OC)n(CCC(NC2CCCCCCC2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9963 |
| logD: | 5.9963 |
| logSw: | -5.4101 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.722 |
| InChI Key: | JMVHERURPDMNSZ-UHFFFAOYSA-N |