N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]acetamide

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]acetamide

Formula: C29H22N4OS2

SMILES: O=C(CSC1=C(C#N)C(=CC(=N1)C1=CC=CC=C1)C1=CC=CC=C1)NC1=C(C#N)C2=C(CCCC2)S1

IUPAC: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-cyano-4,6-diphenylpyridin-2-yl)sulfanyl]acetamide

InChI: InChI=1S/C29H22N4OS2/c30-16-23-21-13-7-8-14-26(21)36-29(23)33-27(34)18-35-28-24(17-31)22(19-9-3-1-4-10-19)15-25(32-28)20-11-5-2-6-12-20/h1-6,9-12,15H,7-8,13-14,18H2,(H,33,34)

Composition: C (68.75%), H (4.38%), N (11.06%), O (3.16%), S (12.66%)

Molar Mass: 506.64

Atom Count: 58

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	506.123503692
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	BPJSBOTVHUJPQH-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	146.51
Topological Polar Surface Area	89.57
Polarizability	57.71
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H22N4OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00