Basic information
- CAS
87236-40-6- Standard SMILES
CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Sc3nnc(-c4ccncc4)n3-c3ccccc3)c2c1- InChIKey
IHKURLXEBIGAQG-UHFFFAOYSA-N- Molecular formula
- C28H20N6O3S
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.13175969
Names & identifiers
- Preferred name
- Acridine, 2-ethoxy-6-nitro-9-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-
- IUPAC
- 2-ethoxy-6-nitro-9-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acridine
Names & synonyms
BRN 5678966Acridine, 2-ethoxy-6-nitro-9-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)-87236-40-6DTXSID202362282-Ethoxy-6-nitro-9-((4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl)thio)acridineRefChem:317067DTXCID201587192-ethoxy-6-nitro-9-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acridine
Database identifiers
- CAS
87236-40-6- PubChem CID
- 55665
- DTXSID
DTXSID20236228
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 791
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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