4-(3-methylphenyl)-5-[(3-phenylpropyl)sulfanyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

4-(3-methylphenyl)-5-[(3-phenylpropyl)sulfanyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

Formula: C26H26N2OS2

SMILES: CC1=CC=CC(=C1)N1C(=O)C2=C(SC3=C2CCCC3)N=C1SCCCC1=CC=CC=C1

IUPAC: 4-(3-methylphenyl)-5-[(3-phenylpropyl)sulfanyl]-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),5-trien-3-one

InChI: InChI=1S/C26H26N2OS2/c1-18-9-7-13-20(17-18)28-25(29)23-21-14-5-6-15-22(21)31-24(23)27-26(28)30-16-8-12-19-10-3-2-4-11-19/h2-4,7,9-11,13,17H,5-6,8,12,14-16H2,1H3

Composition: C (69.92%), H (5.87%), N (6.27%), O (3.58%), S (14.36%)

Molar Mass: 446.63

Atom Count: 57

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	446.148655813
Formal Charge	0
FSP3	0.31
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BPYRIMTXORPXFV-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	132.73
Topological Polar Surface Area	32.67
Polarizability	49.81
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H26N2OS2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00