3-[(5E)-5-{[4-(morpholin-4-yl)phenyl]methylidene}-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

3-[(5E)-5-{[4-(morpholin-4-yl)phenyl]methylidene}-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

Formula: C22H19N3O5S

SMILES: OC(=O)C1=CC=CC(=C1)N1C(=S)NC(=O)C(=C/C2=CC=C(C=C2)N2CCOCC2)C1=O

IUPAC: 3-[(5E)-5-{[4-(morpholin-4-yl)phenyl]methylidene}-4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl]benzoic acid

InChI: InChI=1S/C22H19N3O5S/c26-19-18(12-14-4-6-16(7-5-14)24-8-10-30-11-9-24)20(27)25(22(31)23-19)17-3-1-2-15(13-17)21(28)29/h1-7,12-13H,8-11H2,(H,28,29)(H,23,26,31)/b18-12+

Composition: C (60.40%), H (4.38%), N (9.61%), O (18.29%), S (7.33%)

Molar Mass: 437.47

Atom Count: 50

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	437.104541898
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LYNWNQPKHASVRJ-LDADJPATSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.55
Topological Polar Surface Area	99.18
Polarizability	44.82
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H19N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00