(5E)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

(5E)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Formula: C19H15N3O6S

SMILES: COC1=CC=C(C=C1C1=CC=C(O1)C=C1/C(=O)NC(=S)N(CC=C)C1=O)[N+]([O-])=O

IUPAC: (5E)-5-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}-1-(prop-2-en-1-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

InChI: InChI=1S/C19H15N3O6S/c1-3-8-21-18(24)14(17(23)20-19(21)29)10-12-5-7-16(28-12)13-9-11(22(25)26)4-6-15(13)27-2/h3-7,9-10H,1,8H2,2H3,(H,20,23,29)/b14-10+

Composition: C (55.20%), H (3.66%), N (10.16%), O (23.22%), S (7.76%)

Molar Mass: 413.4

Atom Count: 44

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	413.068156389
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ORBZKOOTTLKGNI-GXDHUFHOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	108.36
Topological Polar Surface Area	114.92
Polarizability	41.93
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H15N3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00