(5E)-5-({4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

(5E)-5-({4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C26H21FN2O5S

SMILES: COC1=CC=C(C=C1)N1C(=S)NC(=O)C(=C/C2=CC=C(OCC3=CC=CC(F)=C3)C(OC)=C2)C1=O

IUPAC: (5E)-5-({4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C26H21FN2O5S/c1-32-20-9-7-19(8-10-20)29-25(31)21(24(30)28-26(29)35)13-16-6-11-22(23(14-16)33-2)34-15-17-4-3-5-18(27)12-17/h3-14H,15H2,1-2H3,(H,28,30,35)/b21-13+

Composition: C (63.41%), H (4.30%), F (3.86%), N (5.69%), O (16.24%), S (6.51%)

Molar Mass: 492.52

Atom Count: 56

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	492.115521121
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KNINGLIMXHYIHF-FYJGNVAPSA-N
Lipinski's Rule of Five	1
Molar Refractivity	133.01
Topological Polar Surface Area	77.1
Polarizability	50.82
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H21FN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00