ethyl 4-[4-(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[4-(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[4-(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | F861-0112 |
| Compound Name: | ethyl 4-[4-(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 460.62 |
| Molecular Formula: | C25 H40 N4 O4 |
| Smiles: | CCOC(c1c(C)c(C(N2CCC(CC2)CC(NCCN2CCCCCC2)=O)=O)c(C)[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5071 |
| logD: | 0.8084 |
| logSw: | -2.4241 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.977 |
| InChI Key: | HWUUHVBJSANNHL-UHFFFAOYSA-N |