N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

HCID 5223595

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Basic information

CAS: 5408-09-3
Standard SMILES: Cc1csc(SCC(=O)Nc2ccc(N3CCN(C(=O)c4cccc(Br)c4)CC3)cc2)n1
InChIKey: QBFYFKKZCCEDNA-UHFFFAOYSA-N
Molecular formula: C23H23BrN4O2S2
Average molar mass: 531.5 g/mol
Monoisotopic mass: 530.04458

Names & identifiers

Preferred name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide
IUPAC: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide

Names & synonyms

N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamide5408-09-3N-{4-[4-(3-Bromobenzoyl)piperazin-1-yl]phenyl}-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]acetamideDTXSID30411246

Database identifiers

CAS: 5408-09-3
PubChem CID: 5223595
DTXSID: DTXSID30411246

Properties

Computed structural properties

XLogP: 4.8
Topological polar surface area: 119 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 6
Heavy atoms: 32
Formal charge: 0
Complexity: 641

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