methyl 4-[N-(4-fluorobenzene-1-sulfonyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-[N-(4-fluorobenzene-1-sulfonyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-[N-(4-fluorobenzene-1-sulfonyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | V016-0162 |
| Compound Name: | methyl 4-[N-(4-fluorobenzene-1-sulfonyl)-N-(3-methylbutyl)glycyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C21 H27 F N2 O5 S |
| Smiles: | CC(C)CCN(CC(c1c(C)c(C(=O)OC)[nH]c1C)=O)S(c1ccc(cc1)F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9176 |
| logD: | 3.9176 |
| logSw: | -4.2667 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.994 |
| InChI Key: | XQHCMNCMEIDAPJ-UHFFFAOYSA-N |