Basic information
- CAS
103654-46-2- Standard SMILES
CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Sc3n[nH]c(C)n3)c2c1- InChIKey
IDVDKEYOOFHYBP-UHFFFAOYSA-N- Molecular formula
- C18H15N5O3S
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.08956053
Names & identifiers
- Preferred name
- Acridine, 2-ethoxy-9-((5-methyl-1H-1,2,4-triazol-3-yl)thio)-6-nitro-
- IUPAC
- 2-ethoxy-9-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-nitroacridine
Names & synonyms
103654-46-2ACRIDINE, 2-ETHOXY-9-((5-METHYL-1H-1,2,4-TRIAZOL-3-YL)THIO)-6-NITRO-2-Ethoxy-9-((5-methyl-1H-1,2,4-triazol-3-yl)thio)-6-nitroacridineDTXSID30145978RefChem:317072DTXCID30684692-ethoxy-9-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-6-nitroacridine
Database identifiers
- CAS
103654-46-2- PubChem CID
- 59779
- DTXSID
DTXSID30145978
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 536
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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