ethyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
ethyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
ethyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4910 |
| Compound Name: | ethyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)glycyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C22 H25 F N2 O4 |
| Smiles: | CCOC(c1c(C)c(C(CN(CC=C)C(c2cccc(c2)F)=O)=O)c(C)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7296 |
| logD: | 2.7296 |
| logSw: | -2.9336 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.237 |
| InChI Key: | DIRPTSVLHOYGSP-UHFFFAOYSA-N |