1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-1677 |
| Compound Name: | 1-[(4-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(thiophen-2-yl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 402.94 |
| Molecular Formula: | C21 H23 Cl N2 O2 S |
| Smiles: | Cc1c(CNCCc2cccs2)c(C(O)=O)c(C)n1Cc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9943 |
| logD: | 3.9943 |
| logSw: | -4.5188 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.97 |
| InChI Key: | QJACNEOZZMREQR-UHFFFAOYSA-N |