1-benzyl-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-benzyl-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
1-benzyl-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-0398 |
| Compound Name: | 1-benzyl-2,5-dimethyl-4-{[(4-methylcyclohexyl)amino]methyl}-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 354.49 |
| Molecular Formula: | C22 H30 N2 O2 |
| Smiles: | CC1CCC(CC1)NCc1c(C(O)=O)c(C)n(Cc2ccccc2)c1C |
| Stereo: | ACHIRAL |
| logP: | 4.7109 |
| logD: | 4.7109 |
| logSw: | -4.4516 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.626 |
| InChI Key: | YIYHOAXBKGQQAI-UHFFFAOYSA-N |