3-{[(4-methylphenyl)methyl]sulfanyl}-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

3-{[(4-methylphenyl)methyl]sulfanyl}-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Formula: C27H28N2O3S

SMILES: COC1=CC(=CC(OC)=C1OC)C1=NC(SCC2=CC=C(C)C=C2)=C(C#N)C2=C1CCCC2

IUPAC: 3-{[(4-methylphenyl)methyl]sulfanyl}-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

InChI: InChI=1S/C27H28N2O3S/c1-17-9-11-18(12-10-17)16-33-27-22(15-28)20-7-5-6-8-21(20)25(29-27)19-13-23(30-2)26(32-4)24(14-19)31-3/h9-14H,5-8,16H2,1-4H3

Composition: C (70.41%), H (6.13%), N (6.08%), O (10.42%), S (6.96%)

Molar Mass: 460.59

Atom Count: 61

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	460.182063944
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	AJYNJPAFRHGWBU-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	134.03
Topological Polar Surface Area	64.37
Polarizability	52.53
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H28N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00