(4Z)-9,11-dimethyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

(4Z)-9,11-dimethyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

Formula: C22H15N3O4S

SMILES: CC1=CC(C)=C2N=C3SC(=C/C4=CC=C(O4)C4=CC=CC=C4[N+]([O-])=O)C(=O)N3C2=C1

IUPAC: (4Z)-9,11-dimethyl-4-{[5-(2-nitrophenyl)furan-2-yl]methylidene}-5-thia-2,7-diazatricyclo[6.4.0.0²,?]dodeca-1(12),6,8,10-tetraen-3-one

InChI: InChI=1S/C22H15N3O4S/c1-12-9-13(2)20-17(10-12)24-21(26)19(30-22(24)23-20)11-14-7-8-18(29-14)15-5-3-4-6-16(15)25(27)28/h3-11H,1-2H3/b19-11-

Composition: C (63.30%), H (3.62%), N (10.07%), O (15.33%), S (7.68%)

Molar Mass: 417.44

Atom Count: 45

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	5
Asymmetric Atom Count	0
Exact Mass	417.078327149
Formal Charge	0
FSP3	0.09
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	OICPUFFVXMGTIC-ODLFYWEKSA-N
Lipinski's Rule of Five
Molar Refractivity	114.55
Topological Polar Surface Area	91.17
Polarizability	45.14
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H15N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00