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

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

Formula: C21H24Cl2N2OS

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

IUPAC: 5-(2,4-dichlorophenyl)-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/C21H24Cl2N2OS/c1-4-21(2,3)11-5-7-14-16(9-11)27-20-17(14)19(26)24-18(25-20)13-8-6-12(22)10-15(13)23/h6,8,10-11,18,25H,4-5,7,9H2,1-3H3,(H,24,26)

Composition: C (59.57%), H (5.71%), Cl (16.75%), N (6.62%), O (3.78%), S (7.57%)

Molar Mass: 423.4

Atom Count: 51

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	422.09864
Formal Charge	0
FSP3	0.48
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	AQCBYPSYPUHQPE-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	113.68
Topological Polar Surface Area	41.13
Polarizability	43.11
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H24Cl2N2OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00