N-(3-chloro-4-fluorophenyl)-7-(((3S,3aS,6R,6aS)-6-methoxyhexahydrofuro[3,2-b]furan-3-yl)oxy)-6-nitroquinazolin-4-amine
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CO[C@@H]1CO[C@@H]2[C@H]1OC[C@@H]2Oc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1[N+](=O)[O-]- InChIKey
MJHIAQWGVVDTPH-FYQPLNBISA-N- Molecular formula
- C21H18ClFN4O6
- Average molar mass
- 476.8 g/mol
- Monoisotopic mass
- 476.0898902
Names & identifiers
- Preferred name
- N-(3-chloro-4-fluorophenyl)-7-(((3S,3aS,6R,6aS)-6-methoxyhexahydrofuro[3,2-b]furan-3-yl)oxy)-6-nitroquinazolin-4-amine
- IUPAC
- 7-[[(3R,3aS,6S,6aS)-3-methoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]oxy]-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine
Names & synonyms
SCHEMBL13858278MJHIAQWGVVDTPH-FYQPLNBISA-NN-(3-chloro-4-fluorophenyl)-7-(((3S,3aS,6R,6aS)-6-methoxyhexahydrofuro[3,2-b]furan-3-yl)oxy)-6-nitroquinazolin-4-amine
Database identifiers
- PubChem CID
- 71014288
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 706
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Related reactions
1 records
Compound notes
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