2-methoxy-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

2-methoxy-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: C29H30Cl2N2O4S

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

IUPAC: 2-methoxy-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/C29H30Cl2N2O4S/c1-5-29(2,3)16-7-9-19-23(13-16)38-27-24(19)26(34)32-25(33-27)15-6-11-21(22(12-15)36-4)37-28(35)18-10-8-17(30)14-20(18)31/h6,8,10-12,14,16,25,33H,5,7,9,13H2,1-4H3,(H,32,34)

Composition: C (60.73%), H (5.27%), Cl (12.36%), N (4.88%), O (11.16%), S (5.59%)

Molar Mass: 573.53

Atom Count: 68

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	572.130334
Formal Charge	0
FSP3	0.38
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	INXLOFRRKYUXSO-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	151.94
Topological Polar Surface Area	76.66
Polarizability	57.84
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H30Cl2N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00