11-(4-methoxyphenyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

11-(4-methoxyphenyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

Formula: C17H16N2O2S

SMILES: COC1=CC=C(C=C1)N1C(C)=NC2=C(C3=C(CCC3)S2)C1=O

IUPAC: 11-(4-methoxyphenyl)-10-methyl-7-thia-9,11-diazatricyclo[6.4.0.0²,?]dodeca-1(8),2(6),9-trien-12-one

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

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	3
Hydrogen Bond Donor Count	0
InChIKey	JZNFNRUUILCCTE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.61
Topological Polar Surface Area	41.9
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