1,5-anhydro-3-(6-bromo-1-methyl-4-oxo-1,4-dihydrobenzo[h]quinazolin-3(2H)-yl)-2,3-dideoxy-L-threo-pentitol
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Basic information
- Standard SMILES
CN1CN([C@H]2CCOC[C@@H]2O)C(=O)c2cc(Br)c3ccccc3c21- InChIKey
MDAHRDCZMZVFPX-HOTGVXAUSA-N- Molecular formula
- C18H19BrN2O3
- Average molar mass
- 391.3 g/mol
- Monoisotopic mass
- 390.05791
Names & identifiers
- Preferred name
- 1,5-anhydro-3-(6-bromo-1-methyl-4-oxo-1,4-dihydrobenzo[h]quinazolin-3(2H)-yl)-2,3-dideoxy-L-threo-pentitol
- IUPAC
- 6-bromo-3-[(3R,4S)-3-hydroxyoxan-4-yl]-1-methyl-2H-benzo[h]quinazolin-4-one
Names & synonyms
SCHEMBL15105541MDAHRDCZMZVFPX-HOTGVXAUSA-N1,5-anhydro-3-(6-bromo-1-methyl-4-oxo-1,4-dihydrobenzo[h]quinazolin-3(2H)-yl)-2,3-dideoxy-L-threo-pentitol
Database identifiers
- PubChem CID
- 86690366
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 53 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 491
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Related reactions
1 records
Compound notes
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