ethyl 1-{3-[3-(ethoxycarbonyl)anilino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-{3-[3-(ethoxycarbonyl)anilino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-{3-[3-(ethoxycarbonyl)anilino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-2017 |
| Compound Name: | ethyl 1-{3-[3-(ethoxycarbonyl)anilino]-3-oxopropyl}-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C26 H28 N2 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(CCn1c(cc(C(=O)OCC)c1C)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6545 |
| logD: | 5.6544 |
| logSw: | -5.461 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.553 |
| InChI Key: | WEANTOIUUPWMPK-UHFFFAOYSA-N |