ethyl 4-(azepane-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(azepane-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(azepane-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E137-0069 |
| Compound Name: | ethyl 4-(azepane-1-carbonyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 292.38 |
| Molecular Formula: | C16 H24 N2 O3 |
| Smiles: | CCOC(c1c(C)c(C(N2CCCCCC2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7605 |
| logD: | 2.7605 |
| logSw: | -2.7165 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.953 |
| InChI Key: | QJGLVJZVMGNHLT-UHFFFAOYSA-N |