ethyl 4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | C722-0081 |
| Compound Name: | ethyl 4-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 318.41 |
| Molecular Formula: | C18 H26 N2 O3 |
| Smiles: | [H]n1c(C)c(C(NCCC2CCCCC=2)=O)c(C)c1C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.9587 |
| logD: | 2.9587 |
| logSw: | -2.9369 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.421 |
| InChI Key: | OCGKZQDXHDHREL-UHFFFAOYSA-N |