methyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-9831 |
| Compound Name: | methyl 4-[N-(3-fluorobenzoyl)-N-(prop-2-en-1-yl)alanyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 386.42 |
| Molecular Formula: | C21 H23 F N2 O4 |
| Smiles: | CC(C(c1c(C)c(C(=O)OC)[nH]c1C)=O)N(CC=C)C(c1cccc(c1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.202 |
| logD: | 3.202 |
| logSw: | -3.4954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.686 |
| InChI Key: | XNMRCGFMIVOSOY-AWEZNQCLSA-N |