methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | D731-0553 |
| Compound Name: | methyl 4-[(2,5-dichlorophenyl)methyl]-2-methyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 298.17 |
| Molecular Formula: | C14 H13 Cl2 N O2 |
| Smiles: | Cc1c(C(=O)OC)c(Cc2cc(ccc2[Cl])[Cl])c[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.3279 |
| logD: | 4.3279 |
| logSw: | -4.6446 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.873 |
| InChI Key: | IXVAKBNYHZNEIA-UHFFFAOYSA-N |