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

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

Formula: C16H15FN2OS

SMILES: FC1=CC=CC(=C1)C1NC2=C(C3=C(CCCC3)S2)C(=O)N1

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

InChI: InChI=1/C16H15FN2OS/c17-10-5-3-4-9(8-10)14-18-15(20)13-11-6-1-2-7-12(11)21-16(13)19-14/h3-5,8,14,19H,1-2,6-7H2,(H,18,20)

Composition: C (63.56%), H (5.00%), F (6.28%), N (9.26%), O (5.29%), S (10.60%)

Molar Mass: 302.37

Atom Count: 36

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	302.088912448
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XGBSVYXZSSBYEU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.51
Topological Polar Surface Area	41.13
Polarizability	29.84
Ring Count	4
Rotatable Bond Count	1

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H15FN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00