ethyl 4-(anilinomethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
Chemical Structure Depiction of
ethyl 4-(anilinomethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
ethyl 4-(anilinomethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1)
Compound characteristics
| Compound ID: | 8013-0468 |
| Compound Name: | ethyl 4-(anilinomethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate--oxalic acid (1/1) |
| Molecular Weight: | 362.38 |
| Molecular Formula: | C16 H20 N2 O2 |
| Salt: | HOOCCOOH |
| Smiles: | CCOC(c1c(C)c(CNc2ccccc2)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4122 |
| logD: | 3.4122 |
| logSw: | -3.3669 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.208 |
| InChI Key: | JDDQVGQVUSCASW-UHFFFAOYSA-N |