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Basic information
- Standard SMILES
CCN1CCNc2c3cc(OC)ccc3nc3c([N+](=O)[O-])ccc1c23- InChIKey
ZXGMRSBNUCIYJJ-UHFFFAOYSA-N- Molecular formula
- C18H18N4O3
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13789045
Names & identifiers
- Preferred name
- 6-Ethyl-13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene
- IUPAC
- 6-ethyl-13-methoxy-2-nitro-6,9,17-triazatetracyclo[8.7.1.05,18.011,16]octadeca-1,3,5(18),10,12,14,16-heptaene
Names & synonyms
NSC658354ethyl-methoxy-nitro-[?]CHEMBL2007397NSC-658354NCI60_0204834-Ethyl-7-(hydroxy(oxido)amino)-11-methoxy-2,3,4,8-tetrahydro[1,4]diazepino[5,6,7-kl]acridine
Database identifiers
- PubChem CID
- 377152
- ChEMBL
CHEMBL2007397- Nikkaji
- J466.236I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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