Basic information
- CAS
2527-59-5- Standard SMILES
CCNC(=O)c1ccccc1SSc1ccccc1NC(=O)CC- InChIKey
SAJVKSXJNGYSKR-UHFFFAOYSA-N- Molecular formula
- C18H20N2O2S2
- Average molar mass
- 360.5 g/mol
- Monoisotopic mass
- 360.09662023
Names & identifiers
- Preferred name
- Einecs 219-769-0
- IUPAC
- N-ethyl-2-[[2-(propanoylamino)phenyl]disulfanyl]benzamide
Names & synonyms
EINECS 219-769-0DTXSID60948116N-Ethyl-2-({2-[(1-hydroxypropylidene)amino]phenyl}disulfanyl)benzene-1-carboximidic acid
Database identifiers
- CAS
2527-59-5- PubChem CID
- 75663
- DTXSID
DTXSID60948116
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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