ethyl 4-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
ethyl 4-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | G793-0809 |
| Compound Name: | ethyl 4-(3-{[2-(azepan-1-yl)ethyl]amino}-3-oxopropyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 377.53 |
| Molecular Formula: | C21 H35 N3 O3 |
| Smiles: | CCOC(c1c(C)c(CCC(NCCN2CCCCCC2)=O)c(C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2709 |
| logD: | 0.5721 |
| logSw: | -2.2374 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.155 |
| InChI Key: | BORSJVNYAMLBMM-UHFFFAOYSA-N |