5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
Chemical Structure Depiction of
5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
Compound characteristics
| Compound ID: | 2895-0212 |
| Compound Name: | 5-[(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid |
| Molecular Weight: | 302.37 |
| Molecular Formula: | C17 H22 N2 O3 |
| Smiles: | CCc1c(C)c(C(O)=O)[nH]c1Cc1c(C)c(C(C)=O)c(C)[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.3853 |
| logD: | 1.1082 |
| logSw: | -1.9033 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.349 |
| InChI Key: | JLOMDGPNTBMWOG-UHFFFAOYSA-N |