Name: Name:2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde
Brand: Angene
SKU: AG019GTQ
Rating: 90 (10 reviews)

2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

CAS No.:

405924-32-5

Catalog Number:

AG019GTQ

Molecular Formula:

C16H9N3O2S2

Molecular Weight:

339.3916

Catalog Number:

AG019GTQ

Chemical Name:

2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbaldehyde

CAS Number:

405924-32-5

Molecular Formula:

C16H9N3O2S2

Molecular Weight:

339.3916

MDL Number:

MFCD02323221

IUPAC Name:

2-(1,3-benzothiazol-2-ylsulfanyl)-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde

InChI:

InChI=1S/C16H9N3O2S2/c20-9-10-14(18-13-7-3-4-8-19(13)15(10)21)23-16-17-11-5-1-2-6-12(11)22-16/h1-9H

InChI Key:

AIOKOMMZSZESMW-UHFFFAOYSA-N

SMILES:

O=Cc1c(Sc2nc3c(s2)cccc3)nc2n(c1=O)cccc2

Complexity:

668

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

339.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

339.387g/mol

Monoisotopic Mass:

339.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

116A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9