5-(benzylsulfanyl)-4-(4-methylphenyl)-11-propyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

5-(benzylsulfanyl)-4-(4-methylphenyl)-11-propyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C26H27N3OS2

SMILES: CCCN1CCC2=C(C1)SC1=C2C(=O)N(C(SCC2=CC=CC=C2)=N1)C1=CC=C(C)C=C1

IUPAC: 5-(benzylsulfanyl)-4-(4-methylphenyl)-11-propyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C26H27N3OS2/c1-3-14-28-15-13-21-22(16-28)32-24-23(21)25(30)29(20-11-9-18(2)10-12-20)26(27-24)31-17-19-7-5-4-6-8-19/h4-12H,3,13-17H2,1-2H3

Composition: C (67.65%), H (5.90%), N (9.10%), O (3.47%), S (13.89%)

Molar Mass: 461.64

Atom Count: 59

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	461.159554849
Formal Charge	0
FSP3	0.31
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	UOGHXPFTHJXTOK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.86
Topological Polar Surface Area	35.91
Polarizability	51.49
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H27N3OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00