Name: Name:6-bromo-3-(2-methylpropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
Brand: Angene
SKU: AG019NQJ
Rating: 90 (10 reviews)

6-bromo-3-(2-methylpropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS No.:

795290-90-3

Catalog Number:

AG019NQJ

Molecular Formula:

C12H13BrN2OS

Molecular Weight:

313.2134

Catalog Number:

AG019NQJ

Chemical Name:

6-bromo-3-(2-methylpropyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS Number:

795290-90-3

Molecular Formula:

C12H13BrN2OS

Molecular Weight:

313.2134

MDL Number:

MFCD06368753

IUPAC Name:

6-bromo-3-(2-methylpropyl)-2-sulfanylidene-1H-quinazolin-4-one

InChI:

InChI=1S/C12H13BrN2OS/c1-7(2)6-15-11(16)9-5-8(13)3-4-10(9)14-12(15)17/h3-5,7H,6H2,1-2H3,(H,14,17)

InChI Key:

VFDIUJNDINPEOS-UHFFFAOYSA-N

SMILES:

CC(Cn1c(S)nc2c(c1=O)cc(cc2)Br)C

Complexity:

335

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

313.213g/mol

Monoisotopic Mass:

311.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2