Basic information
- Standard SMILES
CC(C)Oc1ccc(COc2ccc3c(c2)c(S(C)(=O)=O)c2n3CCC2CC(=O)O)cc1C#N- InChIKey
NPNHJHMGCDPLBF-UHFFFAOYSA-N- Molecular formula
- C25H26N2O6S
- Average molar mass
- 482.5 g/mol
Names & identifiers
- Preferred name
- 2-(7-(3-Cyano-4-isopropoxybenzyloxy)-9-(methylsulfonyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
- IUPAC
- 2-[6-[(3-cyano-4-propan-2-yloxyphenyl)methoxy]-4-methylsulfonyl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-yl]acetic acid
Names & synonyms
SCHEMBL2015488NPNHJHMGCDPLBF-UHFFFAOYSA-N2-(7-(3-Cyano-4-isopropoxybenzyloxy)-9-(methylsulfonyl)-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-yl)acetic Acid
Database identifiers
- PubChem CID
- 58329620
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 893
Related reactions
3 records
Compound notes
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