1-benzyl-4-[(cycloheptylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-benzyl-4-[(cycloheptylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
1-benzyl-4-[(cycloheptylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-1351 |
| Compound Name: | 1-benzyl-4-[(cycloheptylamino)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C22 H30 N2 O2 |
| Smiles: | Cc1c(CNC2CCCCCC2)c(C(O)=O)c(C)n1Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3984 |
| logD: | 4.3984 |
| logSw: | -4.3324 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.957 |
| InChI Key: | IWKISDWFXKHFLB-UHFFFAOYSA-N |