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

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

Formula: C20H26N2O2S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(C)O1

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

InChI: InChI=1/C20H26N2O2S/c1-5-20(3,4)12-7-8-13-15(10-12)25-19-16(13)18(23)21-17(22-19)14-9-6-11(2)24-14/h6,9,12,17,22H,5,7-8,10H2,1-4H3,(H,21,23)

Composition: C (67.01%), H (7.31%), N (7.81%), O (8.93%), S (8.94%)

Molar Mass: 358.5

Atom Count: 51

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	358.171499259
Formal Charge	0
FSP3	0.55
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	XKBGTQQOAVFWSI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	101.61
Topological Polar Surface Area	54.27
Polarizability	37.98
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H26N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00