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

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

Formula: C17H16N2O2S

SMILES: COC1=CC=C(C=C1)C1=NC(=O)C2=C(N1)SC1=C2CCCC1

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

InChI: InChI=1S/C17H16N2O2S/c1-21-11-8-6-10(7-9-11)15-18-16(20)14-12-4-2-3-5-13(12)22-17(14)19-15/h6-9H,2-5H2,1H3,(H,18,19,20)

Composition: C (65.36%), H (5.16%), N (8.97%), O (10.24%), S (10.26%)

Molar Mass: 312.39

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	312.093248937
Formal Charge	0
FSP3	0.29
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MXYYHEJTMJMGSX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.78
Topological Polar Surface Area	50.69
Polarizability	32.44
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H16N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00