Basic information
- CAS
500588-74-9- Standard SMILES
c1ccc(-n2cc(-c3nc(N4CC4)nc(N4CC4)n3)c3ccccc32)cc1- InChIKey
DZLJYJWLPAWDIO-UHFFFAOYSA-N- Molecular formula
- C21H18N6
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.1592946
Names & identifiers
- Preferred name
- 3-[4,6-Bis(1-aziridinyl)-1,3,5-triazin-2-yl]-1-phenyl-1H-indole
- IUPAC
- 3-[4,6-bis(aziridin-1-yl)-1,3,5-triazin-2-yl]-1-phenylindole
Names & synonyms
NSC143335DTXSID4011755933-[4,6-Bis(1-aziridinyl)-1,3,5-triazin-2-yl]-1-phenyl-1H-indoleCCG-48616NSC-143335500588-74-9SR-01000638143-13-[4,6-Bis(aziridin-1-yl)-1,3,5-triazin-2-yl]-1-phenyl-1H-indole
Database identifiers
- CAS
500588-74-9- PubChem CID
- 285804
- DTXSID
DTXSID401175593
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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