1-[(3R)-3,4-Dihydroxybutyl]-5-[(2S)-2-(methoxymethyl)pyrrolidine-1-sulfonyl]-1H-indole-2,3-dione
Basic information
- CAS
1438898-89-5- Standard SMILES
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CC[C@@H](O)CO- InChIKey
RBQBJJBLAZNQJZ-QWHCGFSZSA-N- Molecular formula
- C18H24N2O7S
- Average molar mass
- 412.5 g/mol
- Monoisotopic mass
- 412.13042228
Names & identifiers
- Preferred name
- 1-[(3R)-3,4-Dihydroxybutyl]-5-[(2S)-2-(methoxymethyl)pyrrolidine-1-sulfonyl]-1H-indole-2,3-dione
- IUPAC
- 1-[(3R)-3,4-dihydroxybutyl]-5-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylindole-2,3-dione
Names & synonyms
CHEMBL2381349DTXSID701112992BDBM504340781-[(3R)-3,4-Dihydroxybutyl]-5-[(2S)-2-(methoxymethyl)pyrrolidine-1-sulfonyl]-1H-indole-2,3-dione1438898-89-51H-Indole-2,3-dione, 1-[(3R)-3,4-dihydroxybutyl]-5-[[(2S)-2-(methoxymethyl)-1-pyrrolidinyl]sulfonyl]-
Database identifiers
- CAS
1438898-89-5- PubChem CID
- 71682003
- DTXSID
DTXSID701112992- ChEMBL
CHEMBL2381349
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 133 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 693
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Compound notes
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