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

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

Formula: C24H21ClN2O2S2

SMILES: ClC1=CC=CC=C1OCCSC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1C1=CC=CC=C1

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

InChI: InChI=1S/C24H21ClN2O2S2/c25-18-11-5-6-12-19(18)29-14-15-30-24-26-22-21(17-10-4-7-13-20(17)31-22)23(28)27(24)16-8-2-1-3-9-16/h1-3,5-6,8-9,11-12H,4,7,10,13-15H2

Composition: C (61.46%), H (4.51%), Cl (7.56%), N (5.97%), O (6.82%), S (13.67%)

Molar Mass: 469.01

Atom Count: 52

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	468.073298
Formal Charge	0
FSP3	0.25
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ITBZKDMIVWFGTC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	129.23
Topological Polar Surface Area	41.9
Polarizability	48.85
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H21ClN2O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00