1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one
Basic information
- CAS
6592-47-8- Standard SMILES
CCNc1nc(NCC)n2c(SCC(=O)C=C3N(C)c4ccccc4C3(C)C)nnc2n1- InChIKey
VGJYKIZVLJWWQK-UHFFFAOYSA-N- Molecular formula
- C22H28N8OS
- Average molar mass
- 452.6 g/mol
- Monoisotopic mass
- 452.21067872
Names & identifiers
- Preferred name
- 1-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one
- IUPAC
- 1-[[5,7-bis(ethylamino)-[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl]-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one
Names & synonyms
6592-47-8DTXSID70412212AKOS0336902471-{[5,7-Bis(ethylamino)[1,2,4]triazolo[4,3-a][1,3,5]triazin-3-yl]sulfanyl}-3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)propan-2-one
Database identifiers
- CAS
6592-47-8- PubChem CID
- 5236381
- DTXSID
DTXSID70412212
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 703
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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