Name: Name:7-(Benzenesulfonyl)-N-(3-chloro-4-fluoro-phenyl)-6-nitro-quinazolin-4-amine
Brand: Angene
SKU: AG00IIC2
Rating: 90 (10 reviews)

7-(Benzenesulfonyl)-N-(3-chloro-4-fluoro-phenyl)-6-nitro-quinazolin-4-amine

CAS No.:

945553-94-6

Catalog Number:

AG00IIC2

Molecular Formula:

C20H12ClFN4O4S

Molecular Weight:

458.8501

Catalog Number:

AG00IIC2

Chemical Name:

7-(Benzenesulfonyl)-N-(3-chloro-4-fluoro-phenyl)-6-nitro-quinazolin-4-amine

CAS Number:

945553-94-6

Molecular Formula:

C20H12ClFN4O4S

Molecular Weight:

458.8501

MDL Number:

MFCD17018718

IUPAC Name:

7-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine

InChI:

InChI=1S/C20H12ClFN4O4S/c21-15-8-12(6-7-16(15)22)25-20-14-9-18(26(27)28)19(10-17(14)23-11-24-20)31(29,30)13-4-2-1-3-5-13/h1-11H,(H,23,24,25)

InChI Key:

IBXBOQKFZSMVOL-UHFFFAOYSA-N

SMILES:

O=N(=O)c1cc2c(ncnc2cc1S(=O)(=O)c1ccccc1)Nc1ccc(c(c1)Cl)F

EC Number:

620-069-6

Complexity:

742

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

458.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

458.848g/mol

Monoisotopic Mass:

458.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

126A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.8