Basic information
- CAS
914353-88-1- Standard SMILES
Cc1nnc(SCC(=O)N2CCc3cc(Br)ccc32)s1- InChIKey
BROINWDXQYIABK-UHFFFAOYSA-N- Molecular formula
- C13H12BrN3OS2
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 368.96052
Names & identifiers
- Preferred name
- 1-(5-bromo-2,3-dihydro-1H-indol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
- IUPAC
- 1-(5-bromo-2,3-dihydroindol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanone
Names & synonyms
1-(5-bromo-2,3-dihydro-1H-indol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoneDTXSID101126161STK267286AKOS0004223551-(5-Bromo-2,3-dihydro-1H-indol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]ethanone1-(5-Bromo-2,3-dihydro-1H-indol-1-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethan-1-one914353-88-1
Database identifiers
- CAS
914353-88-1- PubChem CID
- 9504744
- DTXSID
DTXSID101126161
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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