methyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
Compound ID: | V005-3105 |
Compound Name: | methyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-1,3,5-trimethyl-1H-pyrrole-2-carboxylate |
Molecular Weight: | 400.45 |
Molecular Formula: | C22 H25 F N2 O4 |
Smiles: | CC(C(c1c(C)c(C(=O)OC)n(C)c1C)=O)N(CC=C)C(c1cccc(c1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0279 |
logD: | 3.0279 |
logSw: | -3.1778 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 52.513 |
InChI Key: | XCGRYJJRVOJLGK-HNNXBMFYSA-N |