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

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

Formula: C20H25N3OS

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

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

InChI: InChI=1/C20H25N3OS/c1-4-20(2,3)13-5-6-14-15(11-13)25-19-16(14)18(24)22-17(23-19)12-7-9-21-10-8-12/h7-10,13,17,23H,4-6,11H2,1-3H3,(H,22,24)

Composition: C (67.57%), H (7.09%), N (11.82%), O (4.50%), S (9.02%)

Molar Mass: 355.5

Atom Count: 50

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	355.171833611
Formal Charge	0
FSP3	0.5
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	UTZQGBSECKTNMR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	101.91
Topological Polar Surface Area	54.02
Polarizability	38.44
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H25N3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00