2-(2-{[(3,5-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-(2-{[(3,5-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-(2-{[(3,5-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | C066-5626 |
| Compound Name: | 2-(2-{[(3,5-dimethoxyphenyl)methyl]amino}-2-oxoethyl)-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C18 H22 N2 O5 |
| Smiles: | Cc1cn(C)c(CC(NCc2cc(cc(c2)OC)OC)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8166 |
| logD: | 0.0174 |
| logSw: | -1.9459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.501 |
| InChI Key: | DHUOCUXPDZCSPD-UHFFFAOYSA-N |