(2Z)-3-(2H-1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

(2Z)-3-(2H-1,3-benzodioxol-5-ylmethyl)-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

Formula: C20H16F3N3O4S

SMILES: NC(=O)C1CC(=O)N(CC2=CC=C3OCOC3=C2)C(S1)=NC1=CC=CC(=C1)C(F)(F)F

IUPAC: (2Z)-3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxo-2-{[3-(trifluoromethyl)phenyl]imino}-1,3-thiazinane-6-carboxamide

InChI: InChI=1/C20H16F3N3O4S/c21-20(22,23)12-2-1-3-13(7-12)25-19-26(17(27)8-16(31-19)18(24)28)9-11-4-5-14-15(6-11)30-10-29-14/h1-7,16H,8-10H2,(H2,24,28)/b25-19-

Composition: C (53.21%), H (3.57%), F (12.63%), N (9.31%), O (14.18%), S (7.10%)

Molar Mass: 451.42

Atom Count: 47

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	451.08136167
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	HTFVEHFYSVXFCY-PLRJNAJWNA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.89
Topological Polar Surface Area	94.22
Polarizability	40.15
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H16F3N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00