Basic information
- Standard SMILES
C=CCN(C(=O)OCc1ccccc1)c1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc2c1Br- InChIKey
FVGZHIFTADSOCV-UHFFFAOYSA-N- Molecular formula
- C29H25BrClNO4
- Average molar mass
- 566.9 g/mol
- Monoisotopic mass
- 565.06555
Names & identifiers
- Preferred name
- Allyl-[8-bromo-3-(4-chlorophenyl)-2-isopropyl-4-oxo-4H-chromen-7-yl]carbamic acid benzyl ester
- IUPAC
- benzyl N-[8-bromo-3-(4-chlorophenyl)-4-oxo-2-propan-2-ylchromen-7-yl]-N-prop-2-enylcarbamate
Names & synonyms
SCHEMBL3579191FVGZHIFTADSOCV-UHFFFAOYSA-NAllyl-[8-bromo-3-(4-chlorophenyl)-2-isopropyl-4-oxo-4H-chromen-7-yl]carbamic acid benzyl ester
Database identifiers
- PubChem CID
- 68700441
Properties
Computed structural properties
- XLogP
- 7.5
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 831
Related reactions
3 records
Compound notes
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