2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol
Basic information
- Standard SMILES
COc1ccc2nc3c([N+](=O)[O-])ccc4c3c(c2c1)NCCN4CCO- InChIKey
VLNDNBAOBAIQOF-UHFFFAOYSA-N- Molecular formula
- C18H18N4O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.13280507
Names & identifiers
- Preferred name
- 2-(13-Methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol
- IUPAC
- 2-(13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaen-6-yl)ethanol
Names & synonyms
NSC658355CHEMBL20019022-[methoxy(nitro)[?]yl]ethanolNSC-658355NCI60_0204842-(7-(Hydroxy(oxido)amino)-11-methoxy-2,8-dihydro[1,4]diazepino[5,6,7-kl]acridin-4(3H)-yl)ethanol
Database identifiers
- PubChem CID
- 377153
- ChEMBL
CHEMBL2001902
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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