Basic information
- Standard SMILES
CC(C)C1OC(=O)Nc2ccc(OCCCS(=O)c3ccc(Cl)c(Cl)c3)cc21- InChIKey
QYMFDAFKQUJUSA-UHFFFAOYSA-N- Molecular formula
- C20H21Cl2NO4S
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 441.0568347
Names & identifiers
- Preferred name
- 6-[3-(3,4-Dichloro-phenylsulfinyl)-propoxy]-4-isopropyl-4H-3,1-benzoxazin-2-one
- IUPAC
- 6-[3-(3,4-dichlorophenyl)sulfinylpropoxy]-4-propan-2-yl-1,4-dihydro-3,1-benzoxazin-2-one
Names & synonyms
SCHEMBL10917821QYMFDAFKQUJUSA-UHFFFAOYSA-N6-[3-(3,4-Dichloro-phenylsulfinyl)-propoxy]-4-isopropyl-4H-3,1-benzoxazin-2-one
Database identifiers
- PubChem CID
- 13260596
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 564
Related reactions
2 records
Compound notes
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