Basic information
- Standard SMILES
COc1cc(C2C(C#N)=C(N)Oc3c2ccc2c3ccn2C)cc(Br)c1OC(C)=O- InChIKey
JYKWFOWVBUTNNJ-UHFFFAOYSA-N- Molecular formula
- C22H18BrN3O4
- Average molar mass
- 468.3 g/mol
- Monoisotopic mass
- 467.04807
Names & identifiers
- Preferred name
- 2-Amino-4-(4-acetoxy-3-bromo-5-methoxyphenyl)-3-cyano-7-methyl-4H-pyrrolo[2,3-h]chromene
- IUPAC
- [4-(2-amino-3-cyano-7-methyl-4H-pyrano[2,3-e]indol-4-yl)-2-bromo-6-methoxyphenyl] acetate
Names & synonyms
SCHEMBL4328201JYKWFOWVBUTNNJ-UHFFFAOYSA-N2-Amino-4-(4-acetoxy-3-bromo-5-methoxyphenyl)-3-cyano-7-methyl-4H-pyrrolo[2,3-h]chromene
Database identifiers
- PubChem CID
- 10322367
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 765
Related reactions
1 records
Compound notes
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