methyl 3,5-dimethyl-4-[N-(3-methylbutanoyl)-N-(prop-2-en-1-yl)glycyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-[N-(3-methylbutanoyl)-N-(prop-2-en-1-yl)glycyl]-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-[N-(3-methylbutanoyl)-N-(prop-2-en-1-yl)glycyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-7609 |
| Compound Name: | methyl 3,5-dimethyl-4-[N-(3-methylbutanoyl)-N-(prop-2-en-1-yl)glycyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 334.41 |
| Molecular Formula: | C18 H26 N2 O4 |
| Smiles: | CC(C)CC(N(CC=C)CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5075 |
| logD: | 2.5074 |
| logSw: | -2.4554 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.574 |
| InChI Key: | XMBYOFYOQZTXSL-UHFFFAOYSA-N |