Basic information
- Standard SMILES
O=C(Nc1ccncn1)c1ccccc1SSc1ccccc1C(=O)Nc1ccncn1- InChIKey
IMFIMLYLVANYAE-UHFFFAOYSA-N- Molecular formula
- C22H16N6O2S2
- Average molar mass
- 460.5 g/mol
Names & identifiers
- Preferred name
- 2,2'-Dithiobis[N-4-pyrimidinyl benzamide]
- IUPAC
- N-pyrimidin-4-yl-2-[[2-(pyrimidin-4-ylcarbamoyl)phenyl]disulfanyl]benzamide
Names & synonyms
SCHEMBL8375299IMFIMLYLVANYAE-UHFFFAOYSA-N2,2'-Dithiobis[N-4-pyrimidinyl benzamide]2,2'-Dithiobis [N-4-pyrimidinyl benzamide]
Database identifiers
- PubChem CID
- 21584563
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 575
Related reactions
3 records
Compound notes
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