ethyl 5-(chloromethyl)-3-methyl-4-octadecanoyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 5-(chloromethyl)-3-methyl-4-octadecanoyl-1H-pyrrole-2-carboxylate
ethyl 5-(chloromethyl)-3-methyl-4-octadecanoyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 8011-6119 |
| Compound Name: | ethyl 5-(chloromethyl)-3-methyl-4-octadecanoyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 468.12 |
| Molecular Formula: | C27 H46 Cl N O3 |
| Smiles: | CCCCCCCCCCCCCCCCCC(c1c(C)c(C(=O)OCC)[nH]c1C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 9.7475 |
| logD: | 9.7475 |
| logSw: | -6.1992 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.909 |
| InChI Key: | ZOYNAZNBRGRWRH-UHFFFAOYSA-N |