2-ethoxy-4-{11-methyl-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-methyl-3-oxo-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl 4-fluorobenzoate

Formula: C26H25FN2O4S

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

IUPAC: 2-ethoxy-4-{11-methyl-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/C26H25FN2O4S/c1-3-32-20-13-16(7-11-19(20)33-26(31)15-5-8-17(27)9-6-15)23-28-24(30)22-18-10-4-14(2)12-21(18)34-25(22)29-23/h5-9,11,13-14,23,29H,3-4,10,12H2,1-2H3,(H,28,30)

Composition: C (64.98%), H (5.24%), F (3.95%), N (5.83%), O (13.32%), S (6.67%)

Molar Mass: 480.55

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	480.15190663
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DMSSDKRHDFHYSA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	129.07
Topological Polar Surface Area	76.66
Polarizability	48.2
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H25FN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00