Compound C22H12Br2ClN3OS2

2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-chlorophenyl)quinazolin-4-one

CAS: 108635-41-2

Molecular Formula	`C22H12Br2ClN3OS2`
Molecular Weight	593.7 g/mol
LogP	7.5
Topological Polar Surface Area	99.1 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	4
Exact Mass	592.84564
Heavy Atoms	31
Complexity	716.0

Chemical Identifiers

CAS Number	108635-41-2
SMILES	`C1=CC=C2C(=C1)N=C(S2)SCC3=NC4=C(C=C(C=C4Br)Br)C(=O)N3C5=CC=CC=C5Cl`
InChIKey	`BOTKUNBCIROUNR-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H12Br2ClN3OS2 (CAS: 108635-41-2) is a chemical compound with molecular formula C22H12Br2ClN3OS2 and molecular weight 593.7 g/mol. Its IUPAC systematic name is 2-(1,3-benzothiazol-2-ylsulfanylmethyl)-6,8-dibromo-3-(2-chlorophenyl)quinazolin-4-one. LogP 7.5 Topological Polar Surface Area 99.1 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 5 Rotatable Bonds 4 Exact Mass 592.84564 Heavy Atoms 31 Complexity 716.0 InChI Key: BOTKUNBCIROUNR-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)N=C(S2)SCC3=NC4=C(C=C(C=C4Br)Br)C(=O)N3C5=CC=CC=C5Cl.

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