Name: Name:3-(4-Sec-butyl-phenyl)-7-chloro-2-mercapto-3h-quinazolin-4-one
Brand: Angene
SKU: AG00I9X5
Rating: 90 (10 reviews)

3-(4-Sec-butyl-phenyl)-7-chloro-2-mercapto-3h-quinazolin-4-one

CAS No.:

556009-85-9

Catalog Number:

AG00I9X5

Molecular Formula:

C18H17ClN2OS

Molecular Weight:

344.8584

Catalog Number:

AG00I9X5

Chemical Name:

3-(4-Sec-butyl-phenyl)-7-chloro-2-mercapto-3h-quinazolin-4-one

CAS Number:

556009-85-9

Molecular Formula:

C18H17ClN2OS

Molecular Weight:

344.8584

MDL Number:

MFCD04608593

IUPAC Name:

3-(4-butan-2-ylphenyl)-7-chloro-2-sulfanylidene-1H-quinazolin-4-one

InChI:

InChI=1S/C18H17ClN2OS/c1-3-11(2)12-4-7-14(8-5-12)21-17(22)15-9-6-13(19)10-16(15)20-18(21)23/h4-11H,3H2,1-2H3,(H,20,23)

InChI Key:

SGPPZVYSIHOBKS-UHFFFAOYSA-N

SMILES:

CCC(c1ccc(cc1)n1c(S)nc2c(c1=O)ccc(c2)Cl)C

Complexity:

464

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

344.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

344.857g/mol

Monoisotopic Mass:

344.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

64.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.1