Basic information
- CAS
134793-44-5- Standard SMILES
O=C(Nc1ccccc1-c1nn(CN2CCNCC2)c(=S)n(CN2CCNCC2)c1=O)C(F)(F)F- InChIKey
OHPXJIBYAMBDJM-UHFFFAOYSA-N- Molecular formula
- C21H27F3N8O2S
- Average molar mass
- 512.6 g/mol
- Monoisotopic mass
- 512.19297779
Names & identifiers
- Preferred name
- Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl)phenyl)-
- IUPAC
- 2,2,2-trifluoro-N-[2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-sulfanylidene-1,2,4-triazin-6-yl]phenyl]acetamide
Names & synonyms
134793-44-5NSC623091Acetamide, 2,2,2-trifluoro-N-(2-(2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl)phenyl)-NSC 6230912,4-Di(piperazinylmethyl)-3-thioxo-6-(2-trifluoroacetylaminophenyl)-1,2,4-triazine-5(2H,4H)-oneNSC-623091Acetamide, 2,2,2-trifluoro-N-[2-[2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl]phenyl]-JJR255JV3MCHEMBL2003555DTXSID601589502,2,2-trifluoro-N-(2-{5-oxo-2,4-bis[(piperazin-1-yl)methyl]-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}phenyl)acetamideNCI60_006881
Show more names
2,2,2-Trifluoro-N-[2-[2,3,4,5-tetrahydro-5-oxo-2,4-bis(1-piperazinylmethyl)-3-thioxo-1,2,4-triazin-6-yl]phenyl]acetamide2,2,2-trifluoro-N-[2-[5-oxo-2,4-bis(piperazin-1-ylmethyl)-3-thioxo-1,2,4-triazin-6-yl]phenyl]acetamide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 830
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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