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

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

Formula: C21H17FN2O5S

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

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

InChI: InChI=1S/C21H17FN2O5S/c1-2-28-18(25)12-29-16-9-3-13(4-10-16)11-17-19(26)23-21(30)24(20(17)27)15-7-5-14(22)6-8-15/h3-11H,2,12H2,1H3,(H,23,26,30)/b17-11-

Composition: C (58.87%), H (4.00%), F (4.43%), N (6.54%), O (18.67%), S (7.48%)

Molar Mass: 428.43

Atom Count: 47

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	428.084220992
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IIEXKAZWURRLGX-BOPFTXTBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	111.07
Topological Polar Surface Area	84.94
Polarizability	42.52
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H17FN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00