ethyl 5-{3-[3-(ethoxycarbonyl)anilino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-{3-[3-(ethoxycarbonyl)anilino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-{3-[3-(ethoxycarbonyl)anilino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1115 |
| Compound Name: | ethyl 5-{3-[3-(ethoxycarbonyl)anilino]-3-oxopropyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C21 H26 N2 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(CCc1c(C)c(C(=O)OCC)c(C)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7148 |
| logD: | 3.7148 |
| logSw: | -4.0725 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.1 |
| InChI Key: | HATIUPDSJDMYQX-UHFFFAOYSA-N |