Compound C19H12F3N3O3S

2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid

CAS: 110703-94-1

Molecular Formula	`C19H12F3N3O3S`
Molecular Weight	419.4 g/mol
LogP	3.5
Topological Polar Surface Area	111.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	419.05515
Heavy Atoms	29
Complexity	702.0

Chemical Identifiers

CAS Number	110703-94-1
SMILES	`C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)CC(=O)O`
InChIKey	`BCSVCWVQNOXFGL-UHFFFAOYSA-N`

📖 Product Overview

Compound C19H12F3N3O3S (CAS: 110703-94-1) is a chemical compound with molecular formula C19H12F3N3O3S and molecular weight 419.4 g/mol. Its IUPAC systematic name is 2-[4-oxo-3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]phthalazin-1-yl]acetic acid. LogP 3.5 Topological Polar Surface Area 111.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 9 Rotatable Bonds 4 Exact Mass 419.05515 Heavy Atoms 29 Complexity 702.0 InChI Key: BCSVCWVQNOXFGL-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=C(S3)C=CC(=C4)C(F)(F)F)CC(=O)O.

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