1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(3,4,5-trimethoxyphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(3,4,5-trimethoxyphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(3,4,5-trimethoxyphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C879-2194 |
| Compound Name: | 1-[(3-chlorophenyl)methyl]-2,5-dimethyl-4-({[2-(3,4,5-trimethoxyphenyl)ethyl]amino}methyl)-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 487 |
| Molecular Formula: | C26 H31 Cl N2 O5 |
| Smiles: | Cc1c(CNCCc2cc(c(c(c2)OC)OC)OC)c(C(O)=O)c(C)n1Cc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.7569 |
| logD: | 3.7569 |
| logSw: | -4.3432 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.929 |
| InChI Key: | CAKYCALGXRBALO-UHFFFAOYSA-N |