4-fluorobenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide
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Basic information
- CAS
312278-29-8- Standard SMILES
Fc1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1- InChIKey
DBCNWZGUMHWQMH-UHFFFAOYSA-N- Molecular formula
- C16H11FN4S
- Average molar mass
- 310.4 g/mol
- Monoisotopic mass
- 310.0688457
Names & identifiers
- Preferred name
- 4-fluorobenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide
- IUPAC
- 3-[(4-fluorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
- English name
- 4-fluorobenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide
- Molecular formula
- C16H11FN4S
- Molecular weight
- 310.3487432
Names & synonyms
312278-29-84-fluorobenzyl 5H-[1,2,4]triazino[5,6-b]indol-3-yl sulfide3-{[(4-fluorophenyl)methyl]sulfanyl}-5H-[1,2,4]triazino[5,6-b]indoleCHEMBL33538073-[(4-fluorophenyl)methylsulfanyl]-5H-[1,2,4]triazino[5,6-b]indoleOprea1_277384BDBM50040886STK216045AKOS001702848CCG-348934ST101918ST4037174
Show more names
1T-1252AG-205/37130076SR-01000519278SR-01000519278-13-[(4-fluorophenyl)methylthio]-1,2,4-triazino[5,6-b]indole3-[(4-fluorobenzyl)sulfanyl]-5H-[1,2,4]triazino[5,6-b]indole
Database identifiers
- CAS
312278-29-8- PubChem CID
- 5714946
- ChEMBL
CHEMBL3353807
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 377
Related reactions
0 records
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Compound notes
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