methyl 3,5-dimethyl-4-[N-(3-methylbutanoyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-[N-(3-methylbutanoyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-[N-(3-methylbutanoyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V005-4258 |
| Compound Name: | methyl 3,5-dimethyl-4-[N-(3-methylbutanoyl)-N-(prop-2-en-1-yl)alanyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 348.44 |
| Molecular Formula: | C19 H28 N2 O4 |
| Smiles: | CC(C)CC(N(CC=C)C(C)C(c1c(C)c(C(=O)OC)[nH]c1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9911 |
| logD: | 2.9911 |
| logSw: | -3.1249 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.43 |
| InChI Key: | IUKOUWXCRKFBNP-AWEZNQCLSA-N |