Apaziquone hydroquinone
Basic information
- CAS
1177895-58-7- Standard SMILES
Cn1c(/C=C/CO)c(CO)c2c(O)c(N3CC3)cc(O)c21- InChIKey
HXBAQKBYZCLYEZ-NSCUHMNNSA-N- Molecular formula
- C15H18N2O4
- Average molar mass
- 290.31 g/mol
- Monoisotopic mass
- 290.12665706
Names & identifiers
- Preferred name
- Apaziquone hydroquinone
- IUPAC
- 5-(aziridin-1-yl)-3-(hydroxymethyl)-2-[(E)-3-hydroxyprop-1-enyl]-1-methylindole-4,7-diol
Names & synonyms
Apaziquone hydroquinone1177895-58-7TN4FH7XPZ8Apaziquone hydroquinone analogorb2815718HY-169855T2019881H-Indole-4,7-diol, 5-(1-aziridinyl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxy-1-propen-1-yl]-1-methyl-5-(1-Aziridinyl)-3-(hydroxymethyl)-2-[(1E)-3-hydroxy-1-propen-1-yl]-1-methyl-1H-indole-4,7-diol
Database identifiers
- CAS
1177895-58-7- PubChem CID
- 445822
- UNII
- TN4FH7XPZ8
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 401
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Compound notes
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