(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

(2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

Formula: C27H26FN3O3S

SMILES: CCCOC1=CC=C(NC(=O)C2CC(=O)N(CC3=CC=CC=C3)C(S2)=NC2=CC=C(F)C=C2)C=C1

IUPAC: (2Z)-3-benzyl-2-[(4-fluorophenyl)imino]-4-oxo-N-(4-propoxyphenyl)-1,3-thiazinane-6-carboxamide

InChI: InChI=1/C27H26FN3O3S/c1-2-16-34-23-14-12-21(13-15-23)29-26(33)24-17-25(32)31(18-19-6-4-3-5-7-19)27(35-24)30-22-10-8-20(28)9-11-22/h3-15,24H,2,16-18H2,1H3,(H,29,33)/b30-27-

Composition: C (65.97%), H (5.33%), F (3.86%), N (8.55%), O (9.76%), S (6.52%)

Molar Mass: 491.58

Atom Count: 61

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	491.167891046
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KLBNBDZEHMILTB-IKPAITLHNA-N
Lipinski's Rule of Five
Molar Refractivity	138.55
Topological Polar Surface Area	71
Polarizability	51.9
Ring Count	4
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H26FN3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00