4(3H)-Quinazolinone, 6,8-dibromo-3-(5-((3-((4-chlorophenyl)amino)-2-hydroxypropyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-

HCID 64045

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Basic information

CAS: 135575-63-2
Standard SMILES: Cc1nc2c(Br)cc(Br)cc2c(=O)n1-c1nnc(SCC(O)CNc2ccc(Cl)cc2)s1
InChIKey: RJGIFSFDSBZSEV-UHFFFAOYSA-N
Molecular formula: C20H16Br2ClN5O2S2
Average molar mass: 617.8 g/mol
Monoisotopic mass: 614.88007

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 6,8-dibromo-3-(5-((3-((4-chlorophenyl)amino)-2-hydroxypropyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-
IUPAC: 6,8-dibromo-3-[5-[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-methylquinazolin-4-one

Names & synonyms

BRN 4340940135575-63-24(3H)-Quinazolinone, 6,8-dibromo-3-(5-((3-((4-chlorophenyl)amino)-2-hydroxypropyl)thio)-1,3,4-thiadiazol-2-yl)-2-methyl-RefChem:284227DTXSID109290716,8-Dibromo-3-(5-{[3-(4-chloroanilino)-2-hydroxypropyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-methylquinazolin-4(3H)-one

Database identifiers

CAS: 135575-63-2
PubChem CID: 64045
DTXSID: DTXSID10929071
Nikkaji: J385.702F

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 144 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 7
Heavy atoms: 32
Formal charge: 0
Complexity: 703

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