ethyl 4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
Chemical Structure Depiction of
ethyl 4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
ethyl 4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 8015-1987 |
| Compound Name: | ethyl 4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1) |
| Molecular Weight: | 450.49 |
| Molecular Formula: | C20 H28 N2 O4 |
| Salt: | HOOCCOOH |
| Smiles: | CCOC(c1c(C)c(CNCCc2ccc(c(c2)OC)OC)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3347 |
| logD: | -0.1554 |
| logSw: | -2.8091 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.842 |
| InChI Key: | JHOCAJYAJJRJST-UHFFFAOYSA-N |