ethyl 4-[(benzylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
Chemical Structure Depiction of
ethyl 4-[(benzylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
ethyl 4-[(benzylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 8013-2658 |
| Compound Name: | ethyl 4-[(benzylamino)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1) |
| Molecular Weight: | 376.41 |
| Molecular Formula: | C17 H22 N2 O2 |
| Salt: | HOOCCOOH |
| Smiles: | CCOC(c1c(C)c(CNCc2ccccc2)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9897 |
| logD: | 0.5383 |
| logSw: | -3.0397 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.739 |
| InChI Key: | QHEQWDJMQSUZDF-UHFFFAOYSA-N |