methyl 4-[(4-cyano-N-methylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[(4-cyano-N-methylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[(4-cyano-N-methylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G798-0972 |
| Compound Name: | methyl 4-[(4-cyano-N-methylbenzamido)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C18 H19 N3 O3 |
| Smiles: | [H]n1c(C)c(CN(C)C(c2ccc(C#N)cc2)=O)c(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.089 |
| logD: | 2.089 |
| logSw: | -2.6697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.6 |
| InChI Key: | XODVWKJTOBMSFY-UHFFFAOYSA-N |