Basic information
- CAS
61085-32-3- Standard SMILES
CSC1(C)C(=O)Nc2c(C(=O)c3ccccc3)cccc21- InChIKey
IVJWUKJUOPAVFI-UHFFFAOYSA-N- Molecular formula
- C17H15NO2S
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.08234972
Names & identifiers
- Preferred name
- 7-Benzoyl-3-methyl-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one
- IUPAC
- 7-benzoyl-3-methyl-3-methylsulfanyl-1H-indol-2-one
Names & synonyms
61085-32-3SCHEMBL11466343DTXSID70512721IVJWUKJUOPAVFI-UHFFFAOYSA-N7-Benzoyl-3-methyl-3-(methylsulfanyl)-1,3-dihydro-2H-indol-2-one7-Benzoyl-3-methyl-3-methylthioindolin-2-one7-Benzoyl-3-methyl-3-metylthioindolin-2-one
Database identifiers
- CAS
61085-32-3- PubChem CID
- 12909816
- DTXSID
DTXSID70512721
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 433
Related reactions
9 records
Compound notes
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