methyl 3,5-dimethyl-4-[(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-[(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-[(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V016-9917 |
| Compound Name: | methyl 3,5-dimethyl-4-[(3-methylphenoxy)acetyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C17 H19 N O4 |
| Smiles: | Cc1cccc(c1)OCC(c1c(C)c(C(=O)OC)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3017 |
| logD: | 3.3017 |
| logSw: | -3.5826 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.868 |
| InChI Key: | CPNHFMXRWAMMKV-UHFFFAOYSA-N |