methyl 4-[N-benzoyl-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-benzoyl-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-benzoyl-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V016-0180 |
| Compound Name: | methyl 4-[N-benzoyl-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 384.47 |
| Molecular Formula: | C22 H28 N2 O4 |
| Smiles: | CC(C)CCN(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4923 |
| logD: | 3.4923 |
| logSw: | -3.7412 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.83 |
| InChI Key: | OTAYLEGIYUOFBB-UHFFFAOYSA-N |