4-(4-ethoxyphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

4-(4-ethoxyphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C26H23FN2O3S2

SMILES: CCOC1=CC=C(C=C1)N1C(=O)C2=C(SC3=C2CCCC3)N=C1SCC(=O)C1=CC=C(F)C=C1

IUPAC: 4-(4-ethoxyphenyl)-5-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C26H23FN2O3S2/c1-2-32-19-13-11-18(12-14-19)29-25(31)23-20-5-3-4-6-22(20)34-24(23)28-26(29)33-15-21(30)16-7-9-17(27)10-8-16/h7-14H,2-6,15H2,1H3

Composition: C (63.14%), H (4.69%), F (3.84%), N (5.66%), O (9.70%), S (12.96%)

Molar Mass: 494.6

Atom Count: 57

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	494.11341312
Formal Charge	0
FSP3	0.27
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	AWWCOCPQSNZQOX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	135.15
Topological Polar Surface Area	58.97
Polarizability	50.38
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H23FN2O3S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00