ethyl 1-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
ethyl 1-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | K906-1958 |
| Compound Name: | ethyl 1-[3-(azepan-1-yl)-3-oxopropyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C23 H30 N2 O3 |
| Smiles: | CCOC(c1cc(c2ccccc2)n(CCC(N2CCCCCC2)=O)c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5147 |
| logD: | 4.5147 |
| logSw: | -4.2384 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 38.373 |
| InChI Key: | UTPACCOEBUJFHM-UHFFFAOYSA-N |