methyl 4-[(3,5-dimethylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[(3,5-dimethylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[(3,5-dimethylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V018-3220 |
| Compound Name: | methyl 4-[(3,5-dimethylphenoxy)acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 315.37 |
| Molecular Formula: | C18 H21 N O4 |
| Smiles: | Cc1cc(C)cc(c1)OCC(c1c(C)c(C(=O)OC)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6935 |
| logD: | 3.6935 |
| logSw: | -4.1279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.868 |
| InChI Key: | MSATWNNTXCMUPQ-UHFFFAOYSA-N |