ethyl 4-[3-(azepan-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(azepan-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[3-(azepan-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0004 |
| Compound Name: | ethyl 4-[3-(azepan-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 320.43 |
| Molecular Formula: | C18 H28 N2 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(N2CCCCCC2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0533 |
| logD: | 3.0533 |
| logSw: | -3.0198 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.425 |
| InChI Key: | MLNGYIUPSMCSDP-UHFFFAOYSA-N |