methyl 4-[N-(2H-1,3-benzodioxole-5-carbonyl)-N-(3-methylbutyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(2H-1,3-benzodioxole-5-carbonyl)-N-(3-methylbutyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(2H-1,3-benzodioxole-5-carbonyl)-N-(3-methylbutyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V025-5262 |
| Compound Name: | methyl 4-[N-(2H-1,3-benzodioxole-5-carbonyl)-N-(3-methylbutyl)glycyl]-1-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C25 H32 N2 O6 |
| Smiles: | CCn1c(C)c(C(CN(CCC(C)C)C(c2ccc3c(c2)OCO3)=O)=O)c(C)c1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8796 |
| logD: | 3.8796 |
| logSw: | -4.2697 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.687 |
| InChI Key: | ZACBGIJVFFSAEZ-UHFFFAOYSA-N |