Basic information
- Standard SMILES
COc1ccccc1N1CCN(CCCOC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1.Cl.Cl- InChIKey
RSRUCDFWUAEYEU-UHFFFAOYSA-N- Molecular formula
- C31H34Cl2N2O5
- Average molar mass
- 585.5 g/mol
Names & identifiers
- Preferred name
- 8-{3-[4-(2-Methoxyphenyl)-1-piperazinyl]-propoxycarbonyl}-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran dihydrochloride
- IUPAC
- 3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate;dihydrochloride
Names & synonyms
SCHEMBL8875545RSRUCDFWUAEYEU-UHFFFAOYSA-N8-{3-[4-(2-Methoxyphenyl)-1-piperazinyl]-propoxycarbonyl}-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran dihydrochloride
Database identifiers
- PubChem CID
- 19972518
Properties
Computed structural properties
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 845
Related reactions
2 records
Compound notes
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