ethyl 4-{[2-(azepan-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-{[2-(azepan-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-{[2-(azepan-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | E137-0232 |
| Compound Name: | ethyl 4-{[2-(azepan-1-yl)ethyl]carbamoyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 335.45 |
| Molecular Formula: | C18 H29 N3 O3 |
| Smiles: | CCOC(c1c(C)c(C(NCCN2CCCCCC2)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3299 |
| logD: | 1.3531 |
| logSw: | -2.3449 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.542 |
| InChI Key: | CTQZVVFESVWURZ-UHFFFAOYSA-N |