2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-6-phenylpyridine-3,5-dicarbonitrile

2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-6-phenylpyridine-3,5-dicarbonitrile

Formula: C25H20ClN3OS

SMILES: CC(C)CC1=C(C#N)C(=NC(SCC(=O)C2=CC=C(Cl)C=C2)=C1C#N)C1=CC=CC=C1

IUPAC: 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-4-(2-methylpropyl)-6-phenylpyridine-3,5-dicarbonitrile

InChI: InChI=1S/C25H20ClN3OS/c1-16(2)12-20-21(13-27)24(18-6-4-3-5-7-18)29-25(22(20)14-28)31-15-23(30)17-8-10-19(26)11-9-17/h3-11,16H,12,15H2,1-2H3

Composition: C (67.33%), H (4.52%), Cl (7.95%), N (9.42%), O (3.59%), S (7.19%)

Molar Mass: 445.97

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	445.1015612
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GDSOBLGFLOHVMT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	126.83
Topological Polar Surface Area	77.54
Polarizability	49.61
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H20ClN3OS		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00