methyl 4-[N-ethyl-N-(3-fluorobenzoyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-ethyl-N-(3-fluorobenzoyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-ethyl-N-(3-fluorobenzoyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V006-3091 |
| Compound Name: | methyl 4-[N-ethyl-N-(3-fluorobenzoyl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 388.44 |
| Molecular Formula: | C21 H25 F N2 O4 |
| Smiles: | CCN(C(C)C(c1c(C)c(C(=O)OC)n(C)c1C)=O)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7826 |
| logD: | 2.7826 |
| logSw: | -2.9927 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.259 |
| InChI Key: | UDJNERZPQKNOHB-AWEZNQCLSA-N |