methyl 3,5-dimethyl-4-[N-(3-methylbutyl)-N-(thiophene-2-carbonyl)glycyl]-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 3,5-dimethyl-4-[N-(3-methylbutyl)-N-(thiophene-2-carbonyl)glycyl]-1H-pyrrole-2-carboxylate
methyl 3,5-dimethyl-4-[N-(3-methylbutyl)-N-(thiophene-2-carbonyl)glycyl]-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V016-0176 |
| Compound Name: | methyl 3,5-dimethyl-4-[N-(3-methylbutyl)-N-(thiophene-2-carbonyl)glycyl]-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 390.5 |
| Molecular Formula: | C20 H26 N2 O4 S |
| Smiles: | CC(C)CCN(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)C(c1cccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7338 |
| logD: | 3.7338 |
| logSw: | -4.2277 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.848 |
| InChI Key: | XESSVVLSWWETRC-UHFFFAOYSA-N |