6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

Formula: C26H20ClN3O2S2

SMILES: CC1=C(C(C2=CC=CS2)C(C#N)=C(N1)SCC(=O)C1=CC=C(Cl)C=C1)C(=O)NC1=CC=CC=C1

IUPAC: 6-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5-cyano-2-methyl-N-phenyl-4-(thiophen-2-yl)-1,4-dihydropyridine-3-carboxamide

InChI: InChI=1/C26H20ClN3O2S2/c1-16-23(25(32)30-19-6-3-2-4-7-19)24(22-8-5-13-33-22)20(14-28)26(29-16)34-15-21(31)17-9-11-18(27)12-10-17/h2-13,24,29H,15H2,1H3,(H,30,32)

Composition: C (61.71%), H (3.98%), Cl (7.01%), N (8.30%), O (6.32%), S (12.67%)

Molar Mass: 506.04

Atom Count: 54

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	505.0685469
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	VHYWRWBHSFTZHI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	150.62
Topological Polar Surface Area	81.99
Polarizability	52.56
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H20ClN3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00