2-ethoxy-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 4-fluorobenzoate

2-ethoxy-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 4-fluorobenzoate

Formula: C30H33FN2O4S

SMILES: CCOC1=CC(=CC=C1OC(=O)C1=CC=C(F)C=C1)C1NC2=C(C3=C(CC(CC3)C(C)(C)CC)S2)C(=O)N1

IUPAC: 2-ethoxy-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 4-fluorobenzoate

InChI: InChI=1/C30H33FN2O4S/c1-5-30(3,4)19-10-13-21-24(16-19)38-28-25(21)27(34)32-26(33-28)18-9-14-22(23(15-18)36-6-2)37-29(35)17-7-11-20(31)12-8-17/h7-9,11-12,14-15,19,26,33H,5-6,10,13,16H2,1-4H3,(H,32,34)

Composition: C (67.14%), H (6.20%), F (3.54%), N (5.22%), O (11.92%), S (5.97%)

Molar Mass: 536.66

Atom Count: 71

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	536.214506888
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OAUJCIKVZKNBFN-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	147.3
Topological Polar Surface Area	76.66
Polarizability	55.54
Ring Count	5
Rotatable Bond Count	8

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C30H33FN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00