ethyl 5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1264 |
| Compound Name: | ethyl 5-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 363.5 |
| Molecular Formula: | C20 H33 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(NCCN2CCCCCC2)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1495 |
| logD: | 0.4507 |
| logSw: | -2.1968 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.824 |
| InChI Key: | AXYOGDSLYDDEPE-UHFFFAOYSA-N |