2,5-dimethyl-1-(4-methylphenyl)-4-({[2-(piperidin-1-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2,5-dimethyl-1-(4-methylphenyl)-4-({[2-(piperidin-1-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
2,5-dimethyl-1-(4-methylphenyl)-4-({[2-(piperidin-1-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G396-2286 |
| Compound Name: | 2,5-dimethyl-1-(4-methylphenyl)-4-({[2-(piperidin-1-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 369.51 |
| Molecular Formula: | C22 H31 N3 O2 |
| Smiles: | Cc1ccc(cc1)n1c(C)c(CNCCN2CCCCC2)c(C(O)=O)c1C |
| Stereo: | ACHIRAL |
| logP: | 3.1852 |
| logD: | 3.1852 |
| logSw: | -3.1716 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.677 |
| InChI Key: | VXLKIHYAWAOTAE-UHFFFAOYSA-N |