4-formyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-formyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
4-formyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C799-0106 |
| Compound Name: | 4-formyl-2,5-dimethyl-1-[(4-methylphenyl)methyl]-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 271.31 |
| Molecular Formula: | C16 H17 N O3 |
| Smiles: | Cc1ccc(Cn2c(C)c(C=O)c(C(O)=O)c2C)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.6278 |
| logD: | 0.5383 |
| logSw: | -2.5459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.503 |
| InChI Key: | DFNAJJGMNXFGQV-UHFFFAOYSA-N |