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

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

Formula: C17H17N3O3S

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

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

InChI: InChI=1/C17H17N3O3S/c1-9-5-6-12-13(7-9)24-17-14(12)16(21)18-15(19-17)10-3-2-4-11(8-10)20(22)23/h2-4,8-9,15,19H,5-7H2,1H3,(H,18,21)

Composition: C (59.46%), H (4.99%), N (12.24%), O (13.98%), S (9.34%)

Molar Mass: 343.4

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	343.099062593
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	UNGFEEYPGAUFRO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.16
Topological Polar Surface Area	84.27
Polarizability	33.9
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17N3O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00