N-[5-acetyl-3-(3-hydroxyphenyl)-1,3,4-thiadiazol-2-ylidene]benzamide
Basic information
- CAS
401637-12-5- Standard SMILES
CC(=O)c1nn(-c2cccc(O)c2)c(=NC(=O)c2ccccc2)s1- InChIKey
KEZXEECKHPREIT-UHFFFAOYSA-N- Molecular formula
- C17H13N3O3S
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.06776246
Names & identifiers
- Preferred name
- N-[5-acetyl-3-(3-hydroxyphenyl)-1,3,4-thiadiazol-2-ylidene]benzamide
- IUPAC
- N-[5-acetyl-3-(3-hydroxyphenyl)-1,3,4-thiadiazol-2-ylidene]benzamide
Names & synonyms
401637-12-5N-[5-acetyl-3-(3-hydroxyphenyl)-1,3,4-thiadiazol-2-ylidene]benzamideDTXSID20404142AKOS024286817ST0967965-acetyl-3-(3-hydroxyphenyl)-2-(2-oxo-2-phenyl-1-azaethylidene)-1,3,4-thiadiaz olineN-[(2Z)-5-Acetyl-3-(3-hydroxyphenyl)-1,3,4-thiadiazol-2(3H)-ylidene]benzamide
Database identifiers
- CAS
401637-12-5- PubChem CID
- 4549045
- DTXSID
DTXSID20404142
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 569
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Compound notes
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