4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylthio)methyl)-

HCID 64095

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Basic information

CAS: 108635-31-0
Standard SMILES: CCCSCc1nc2c(Br)cc(Br)cc2c(=O)n1-c1ccccc1OC
InChIKey: QHJUFAYERDHKAY-UHFFFAOYSA-N
Molecular formula: C19H18Br2N2O2S
Average molar mass: 498.2 g/mol
Monoisotopic mass: 495.94557

Names & identifiers

Preferred name: 4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylthio)methyl)-
IUPAC: 6,8-dibromo-3-(2-methoxyphenyl)-2-(propylsulfanylmethyl)quinazolin-4-one

Names & synonyms

4(3H)-Quinazolinone, 6,8-dibromo-3-(2-methoxyphenyl)-2-((propylthio)methyl)-6,8-Dibromo-3-(2-methoxyphenyl)-2-((propylthio)methyl)-4(3H)-quinazolinone108635-31-0DTXSID70148645RefChem:284221DTXCID40711366,8-dibromo-3-(2-methoxyphenyl)-2-[(propylsulfanyl)methyl]quinazolin-4(3h)-one

Database identifiers

CAS: 108635-31-0
PubChem CID: 64095
DTXSID: DTXSID70148645

Properties

Computed structural properties

XLogP: 5.4
Topological polar surface area: 67.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 534

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