3-{1-[3-(methoxycarbonyl)phenyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Chemical Structure Depiction of
3-{1-[3-(methoxycarbonyl)phenyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
3-{1-[3-(methoxycarbonyl)phenyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid
Compound characteristics
| Compound ID: | 6060-0052 |
| Compound Name: | 3-{1-[3-(methoxycarbonyl)phenyl]-5-(4-methylphenyl)-1H-pyrrol-2-yl}propanoic acid |
| Molecular Weight: | 363.41 |
| Molecular Formula: | C22 H21 N O4 |
| Smiles: | Cc1ccc(cc1)c1ccc(CCC(O)=O)n1c1cccc(c1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.7423 |
| logD: | 1.9284 |
| logSw: | -4.452 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.953 |
| InChI Key: | NDOOXPGYRJWWKF-UHFFFAOYSA-N |