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

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

Formula: C28H28Cl2N2O3S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(OC(=O)C2=CC=C(Cl)C=C2Cl)C=C1

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

InChI: InChI=1/C28H28Cl2N2O3S/c1-4-28(2,3)16-7-11-20-22(13-16)36-26-23(20)25(33)31-24(32-26)15-5-9-18(10-6-15)35-27(34)19-12-8-17(29)14-21(19)30/h5-6,8-10,12,14,16,24,32H,4,7,11,13H2,1-3H3,(H,31,33)

Composition: C (61.88%), H (5.19%), Cl (13.05%), N (5.15%), O (8.83%), S (5.90%)

Molar Mass: 543.5

Atom Count: 64

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	542.1197693
Formal Charge	0
FSP3	0.36
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QGSIUMXPIUOBPB-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	145.48
Topological Polar Surface Area	67.43
Polarizability	55.3
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H28Cl2N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00