Acridine, 2-ethoxy-6-nitro-9-((5-phenyl-1H-1,2,4-triazol-3-yl)thio)-

HCID 59784

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Basic information

CAS: 103674-91-5
Standard SMILES: CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Sc3n[nH]c(-c4ccccc4)n3)c2c1
InChIKey: GBSSQXZHYDHRBY-UHFFFAOYSA-N
Molecular formula: C23H17N5O3S
Average molar mass: 443.5 g/mol
Monoisotopic mass: 443.10521059

Names & identifiers

Preferred name: Acridine, 2-ethoxy-6-nitro-9-((5-phenyl-1H-1,2,4-triazol-3-yl)thio)-
IUPAC: 2-ethoxy-6-nitro-9-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acridine

Names & synonyms

103674-91-5ACRIDINE, 2-ETHOXY-6-NITRO-9-((5-PHENYL-1H-1,2,4-TRIAZOL-3-YL)THIO)-2-Ethoxy-6-nitro-9-((5-phenyl-1H-1,2,4-triazol-3-yl)thio)acridineDTXSID30145998RefChem:317068DTXCID10684892-ethoxy-6-nitro-9-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acridine

Database identifiers

CAS: 103674-91-5
PubChem CID: 59784
DTXSID: DTXSID30145998

Properties

Computed structural properties

XLogP: 5.8
Topological polar surface area: 135 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 646

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