11-methyl-5-[(1E)-2-(4-nitrophenyl)ethenyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

11-methyl-5-[(1E)-2-(4-nitrophenyl)ethenyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C19H19N3O3S

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C=CC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 11-methyl-5-[(1E)-2-(4-nitrophenyl)ethenyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C19H19N3O3S/c1-11-2-8-14-15(10-11)26-19-17(14)18(23)20-16(21-19)9-5-12-3-6-13(7-4-12)22(24)25/h3-7,9,11,16,21H,2,8,10H2,1H3,(H,20,23)/b9-5+

Composition: C (61.77%), H (5.18%), N (11.37%), O (12.99%), S (8.68%)

Molar Mass: 369.44

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	369.114712658
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KYUPAQPDTNATGZ-WEVVVXLNNA-N
Lipinski's Rule of Five
Molar Refractivity	102.48
Topological Polar Surface Area	84.27
Polarizability	37.32
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00