ethyl 5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
ethyl 5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | G726-1261 |
| Compound Name: | ethyl 5-(3-{[3-(azepan-1-yl)propyl]amino}-3-oxopropyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 377.53 |
| Molecular Formula: | C21 H35 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(NCCCN2CCCCCC2)=O)[nH]c1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2726 |
| logD: | -0.356 |
| logSw: | -2.2503 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.824 |
| InChI Key: | CANUCJFSTTYELE-UHFFFAOYSA-N |