Basic information
- Standard SMILES
CC1(C)Oc2ccc(C#N)cc2[C@@H](N2C(=O)C(=O)c3cc(Cl)ccc32)[C@@H]1O- InChIKey
TTXIEGOAFPEWOB-AEFFLSMTSA-N- Molecular formula
- C20H15ClN2O4
- Average molar mass
- 382.8 g/mol
Names & identifiers
- Preferred name
- (3S,4R)-4-(5-Chloro-2,3-dioxo-2,3-dihydro-indol-1-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile
- IUPAC
- (3S,4R)-4-(5-chloro-2,3-dioxoindol-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
Names & synonyms
SCHEMBL3442250TTXIEGOAFPEWOB-AEFFLSMTSA-N(3S, 4R)-4-(5-Chloro-2,3-dioxo-2,3-dihydro-indol-1-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile(3S,4R)-4-(5-Chloro-2,3-dioxo-2,3-dihydro-indol-1-yl)-3-hydroxy-2,2-dimethyl-chroman-6-carbonitrile
Database identifiers
- PubChem CID
- 68644178
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 701
Related reactions
2 records
Compound notes
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