6,8-Dibromo-3-((2-(p-methoxyphenylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone

HCID 63551

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Basic information

CAS: 74875-88-0
Standard SMILES: COc1ccc(N=C2SCC(=O)N2Cn2cnc3c(Br)cc(Br)cc3c2=O)cc1
InChIKey: YYHGFKVMAXLJKO-UHFFFAOYSA-N
Molecular formula: C19H14Br2N4O3S
Average molar mass: 538.2 g/mol
Monoisotopic mass: 535.91534

Names & identifiers

Preferred name: 6,8-Dibromo-3-((2-(p-methoxyphenylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone
IUPAC: 3-[(6,8-dibromo-4-oxoquinazolin-3-yl)methyl]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one

Names & synonyms

BRN 49475686,8-Dibromo-3-((2-(p-methoxyphenylimino)-4-oxo-3-thiazolidinyl)methyl)-4(3H)-quinazolinone4(3H)-Quinazolinone, 6,8-dibromo-3-((2-(p-methoxyphenylimino)-4-oxo-3-thiazolidinyl)methyl)-74875-88-0

Database identifiers

CAS: 74875-88-0
PubChem CID: 63551
Nikkaji: J73.071H

Properties

Computed structural properties

XLogP: 4.2
Topological polar surface area: 99.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 29
Formal charge: 0
Complexity: 714

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