4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]benzoic acid
Chemical Structure Depiction of
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]benzoic acid
4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]benzoic acid
Compound characteristics
| Compound ID: | R052-1626 |
| Compound Name: | 4-[3-(ethoxycarbonyl)-2-methyl-5-phenyl-1H-pyrrol-1-yl]benzoic acid |
| Molecular Weight: | 349.38 |
| Molecular Formula: | C21 H19 N O4 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(c2ccc(cc2)C(O)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.022 |
| logD: | 2.1358 |
| logSw: | -4.402 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.823 |
| InChI Key: | BUJVUPVCMDIDAQ-UHFFFAOYSA-N |