Name: Name:3-[2-(4-fluorophenyl)ethyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one
Brand: Angene
SKU: AG019I5Z
Rating: 90 (10 reviews)

3-[2-(4-fluorophenyl)ethyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS No.:

568555-79-3

Catalog Number:

AG019I5Z

Molecular Formula:

C16H13FN2OS

Molecular Weight:

300.3506

Catalog Number:

AG019I5Z

Chemical Name:

3-[2-(4-fluorophenyl)ethyl]-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS Number:

568555-79-3

Molecular Formula:

C16H13FN2OS

Molecular Weight:

300.3506

MDL Number:

MFCD03982021

IUPAC Name:

3-[2-(4-fluorophenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one

InChI:

InChI=1S/C16H13FN2OS/c17-12-7-5-11(6-8-12)9-10-19-15(20)13-3-1-2-4-14(13)18-16(19)21/h1-8H,9-10H2,(H,18,21)

InChI Key:

PHFHBQIKAVAAKJ-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)CCn1c(S)nc2c(c1=O)cccc2

Complexity:

409

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

300.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

300.351g/mol

Monoisotopic Mass:

300.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3