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Basic information
- Standard SMILES
c1ccc2oc(NCCSSCCNc3nc4ccccc4o3)nc2c1- InChIKey
SUODIDLQVQGSFR-UHFFFAOYSA-N- Molecular formula
- C18H18N4O2S2
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.08711818
Names & identifiers
- Preferred name
- N-[2-[2-(1,3-benzoxazol-2-ylamino)ethyldisulfanyl]ethyl]-1,3-benzoxazol-2-amine
- IUPAC
- N-[2-[2-(1,3-benzoxazol-2-ylamino)ethyldisulfanyl]ethyl]-1,3-benzoxazol-2-amine
Names & synonyms
NSC273895NSC-273895N-[2-[2-(1,3-benzoxazol-2-ylamino)ethyldisulfanyl]ethyl]-1,3-benzoxazol-2-amineN-(1,3-Benzoxazol-2-yl)-N-(2-((2-(1,3-benzoxazol-2-ylamino)ethyl)dithio)ethyl)amineN-(2-((2-(1,3-Benzoxazol-2-ylamino)ethyl)dithio)ethyl)-1,3-benzoxazol-2-amine
Database identifiers
- PubChem CID
- 321607
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 396
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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