4-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-N-(4-bromophenyl)benzamide
Basic information
- CAS
5549-93-9- Standard SMILES
CC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)s1- InChIKey
LKCLBAJOUIRJNN-UHFFFAOYSA-N- Molecular formula
- C18H15BrN4O2S2
- Average molar mass
- 463.4 g/mol
- Monoisotopic mass
- 461.98198
Names & identifiers
- Preferred name
- 4-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-N-(4-bromophenyl)benzamide
- IUPAC
- 4-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-bromophenyl)benzamide
Names & synonyms
4-({[5-(acetylamino)-1,3,4-thiadiazol-2-yl]sulfanyl}methyl)-N-(4-bromophenyl)benzamide5549-93-9AQ-088/421817354-[(5-acetamido-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-N-(4-bromophenyl)benzamideDTXSID80359669STK131168AKOS0054029324-{[(5-Acetamido-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-N-(4-bromophenyl)benzamide
Database identifiers
- CAS
5549-93-9- PubChem CID
- 980262
- DTXSID
DTXSID80359669
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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