Basic information
- Standard SMILES
Brc1ccc(-c2n[nH]c3c2Cc2sc(Br)cc2-3)cn1- InChIKey
BPYAAJZSXOWFPR-UHFFFAOYSA-N- Molecular formula
- C13H7Br2N3S
- Average molar mass
- 397.09 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-6-(6-bromo-pyridin-3-yl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
- IUPAC
- 10-bromo-5-(6-bromo-3-pyridinyl)-9-thia-3,4-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,10-tetraene
Names & synonyms
SCHEMBL15311908BPYAAJZSXOWFPR-UHFFFAOYSA-N2-Bromo-6-(6-bromo-pyridin-3-yl)-4,7-dihydro-1-thia-4,5-diaza-cyclopenta[a]pentalene
Database identifiers
- PubChem CID
- 71815099
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 69.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 359
Related reactions
1 records
Compound notes
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