2-(4-{[(5Z)-1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetamide

2-(4-{[(5Z)-1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetamide

Formula: C19H14FN3O4S

SMILES: NC(=O)COC1=CC=C(C=C2C(=O)NC(=S)N(C2=O)C2=CC=C(F)C=C2)C=C1

IUPAC: 2-(4-{[(5Z)-1-(4-fluorophenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl}phenoxy)acetamide

InChI: InChI=1S/C19H14FN3O4S/c20-12-3-5-13(6-4-12)23-18(26)15(17(25)22-19(23)28)9-11-1-7-14(8-2-11)27-10-16(21)24/h1-9H,10H2,(H2,21,24)(H,22,25,28)/b15-9-

Composition: C (57.14%), H (3.53%), F (4.76%), N (10.52%), O (16.02%), S (8.03%)

Molar Mass: 399.4

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	399.06890528
Formal Charge	0
FSP3	0.05
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JMTUXLZUZQNPTM-DHDCSXOGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.37
Topological Polar Surface Area	101.73
Polarizability	39.28
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H14FN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00