Basic information
- CAS
103654-45-1- Standard SMILES
CCOc1ccc2nc3cc([N+](=O)[O-])ccc3c(Sc3ncn[nH]3)c2c1- InChIKey
KGZZRZUUPJLWQY-UHFFFAOYSA-N- Molecular formula
- C17H13N5O3S
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.07391047
Names & identifiers
- Preferred name
- Acridine, 2-ethoxy-6-nitro-9-(1H-1,2,4-triazol-3-ylthio)-
- IUPAC
- 2-ethoxy-6-nitro-9-(1H-1,2,4-triazol-5-ylsulfanyl)acridine
Names & synonyms
ACRIDINE, 2-ETHOXY-6-NITRO-9-(1H-1,2,4-TRIAZOL-3-YLTHIO)-2-Ethoxy-6-nitro-9-(1H-1,2,4-triazol-3-ylthio)acridine103654-45-1DTXSID70145977RefChem:317069DTXCID80684682-Ethoxy-6-nitro-9-[(1H-1,2,4-triazol-5-yl)sulfanyl]acridine
Database identifiers
- CAS
103654-45-1- PubChem CID
- 59778
- DTXSID
DTXSID70145977
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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