1-t-Butyl 2-ethyl 5-{3-[(1S)-2-methoxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]phenyl}-1H-pyrrole-1,2-dicarboxylate
Basic information
- Standard SMILES
CCOC(=O)c1ccc(-c2cc(Oc3ccc(S(C)(=O)=O)cc3)cc(O[C@@H](C)COC)c2)n1C(=O)OC(C)(C)C- InChIKey
FQBKRFGBNRDINP-IBGZPJMESA-N- Molecular formula
- C29H35NO9S
- Average molar mass
- 573.7 g/mol
Names & identifiers
- Preferred name
- 1-t-Butyl 2-ethyl 5-{3-[(1S)-2-methoxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]phenyl}-1H-pyrrole-1,2-dicarboxylate
- IUPAC
- 1-O-tert-butyl 2-O-ethyl 5-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-(4-methylsulfonylphenoxy)phenyl]pyrrole-1,2-dicarboxylate
Names & synonyms
SCHEMBL427549FQBKRFGBNRDINP-IBGZPJMESA-N1-t-Butyl 2-ethyl 5-{3-[(1S)-2-methoxy-1-methylethoxy]-5-[4-(methylsulfonyl)phenoxy]phenyl}-1H-pyrrole-1,2-dicarboxylate
Database identifiers
- PubChem CID
- 66683025
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 936
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Related reactions
4 records
Compound notes
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