Name: Name:4-[(2-methoxyphenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one
Brand: Angene
SKU: AG01C5EP
Rating: 90 (10 reviews)

4-[(2-methoxyphenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

CAS No.:

1012760-54-1

Catalog Number:

AG01C5EP

Molecular Formula:

C25H22N4O2S

Molecular Weight:

442.5328

Catalog Number:

AG01C5EP

Chemical Name:

4-[(2-methoxyphenyl)methyl]-1-{[(4-methylphenyl)methyl]sulfanyl}-4H,5H-[1,2,4]triazolo[4,3-a]quinazolin-5-one

CAS Number:

1012760-54-1

Molecular Formula:

C25H22N4O2S

Molecular Weight:

442.5328

MDL Number:

MFCD10131185

IUPAC Name:

4-[(2-methoxyphenyl)methyl]-1-[(4-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[4,3-a]quinazolin-5-one

InChI:

InChI=1S/C25H22N4O2S/c1-17-11-13-18(14-12-17)16-32-25-27-26-24-28(15-19-7-3-6-10-22(19)31-2)23(30)20-8-4-5-9-21(20)29(24)25/h3-14H,15-16H2,1-2H3

InChI Key:

PXZHMEPAGMYKRU-UHFFFAOYSA-N

SMILES:

COc1ccccc1Cn1c2nnc(n2c2c(c1=O)cccc2)SCc1ccc(cc1)C

Complexity:

643

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

442.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

442.537g/mol

Monoisotopic Mass:

442.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7