Home Halogens 6-bromo-3-[(2-chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one

6-bromo-3-[(2-chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS No.:
35977-19-6
Catalog Number:
AG019NLK
Molecular Formula:
C15H10BrClN2OS
Molecular Weight:
381.6747
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Product Description
Catalog Number:
AG019NLK
Chemical Name:
6-bromo-3-[(2-chlorophenyl)methyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
CAS Number:
35977-19-6
Molecular Formula:
C15H10BrClN2OS
Molecular Weight:
381.6747
MDL Number:
MFCD06358633
IUPAC Name:
6-bromo-3-[(2-chlorophenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C15H10BrClN2OS/c16-10-5-6-13-11(7-10)14(20)19(15(21)18-13)8-9-3-1-2-4-12(9)17/h1-7H,8H2,(H,18,21)
InChI Key:
BMVPGLIPXFJZFF-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)n(c(n2)S)Cc1ccccc1Cl
Properties
Complexity:
436  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.939g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
381.672g/mol
Monoisotopic Mass:
379.939g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties