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

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

Formula: C17H17FN2OS

SMILES: CC1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC=C1F

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

InChI: InChI=1/C17H17FN2OS/c1-9-6-7-11-13(8-9)22-17-14(11)16(21)19-15(20-17)10-4-2-3-5-12(10)18/h2-5,9,15,20H,6-8H2,1H3,(H,19,21)

Composition: C (64.54%), H (5.42%), F (6.00%), N (8.85%), O (5.06%), S (10.13%)

Molar Mass: 316.39

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	316.104562512
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	OXMUJJPXNUBXPP-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	86.06
Topological Polar Surface Area	41.13
Polarizability	31.67
Ring Count	4
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H17FN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00