4-[(butylamino)methyl]-1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
4-[(butylamino)methyl]-1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
4-[(butylamino)methyl]-1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-1006 |
| Compound Name: | 4-[(butylamino)methyl]-1-[(2-chlorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 348.87 |
| Molecular Formula: | C19 H25 Cl N2 O2 |
| Smiles: | CCCCNCc1c(C(O)=O)c(C)n(Cc2ccccc2[Cl])c1C |
| Stereo: | ACHIRAL |
| logP: | 3.8843 |
| logD: | 3.8843 |
| logSw: | -4.1281 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.223 |
| InChI Key: | UBCGDBDELDXUJP-UHFFFAOYSA-N |