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

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

Formula: C21H24ClFN2OS

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=C(F)C=CC=C1Cl

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

InChI: InChI=1/C21H24ClFN2OS/c1-4-21(2,3)11-8-9-12-15(10-11)27-20-16(12)19(26)24-18(25-20)17-13(22)6-5-7-14(17)23/h5-7,11,18,25H,4,8-10H2,1-3H3,(H,24,26)

Composition: C (61.98%), H (5.94%), Cl (8.71%), F (4.67%), N (6.88%), O (3.93%), S (7.88%)

Molar Mass: 406.94

Atom Count: 51

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	406.1281904
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PUQUNKIYDIGFPG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	109.09
Topological Polar Surface Area	41.13
Polarizability	40.92
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24ClFN2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00