N-(4-fluoro-3-nitrophenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide

N-(4-fluoro-3-nitrophenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide

CAS: 455322-68-6

Formula: C12H9FN4O3S

SMILES: [O-][N+](=O)C1=C(F)C=CC(NC(=O)CSC2=NC=CC=N2)=C1

IUPAC: N-(4-fluoro-3-nitrophenyl)-2-(pyrimidin-2-ylsulfanyl)acetamide

InChI: InChI=1S/C12H9FN4O3S/c13-9-3-2-8(6-10(9)17(19)20)16-11(18)7-21-12-14-4-1-5-15-12/h1-6H,7H2,(H,16,18)

Composition: C (46.75%), H (2.94%), F (6.16%), N (18.17%), O (15.57%), S (10.40%)

Molar Mass: 308.29

Atom Count: 30

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	308.037939503
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	CLQMBVFVFKDIHQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.47
Topological Polar Surface Area	98.02
Polarizability	27.79
Ring Count	2
Rotatable Bond Count	5

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