5-(2-methoxyphenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(2-methoxyphenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C18H20N2O2S

SMILES: COC1=CC=CC=C1C1NC2=C(C3=C(CC(C)CC3)S2)C(=O)N1

IUPAC: 5-(2-methoxyphenyl)-11-methyl-8-thia-4,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

InChI: InChI=1/C18H20N2O2S/c1-10-7-8-12-14(9-10)23-18-15(12)17(21)19-16(20-18)11-5-3-4-6-13(11)22-2/h3-6,10,16,20H,7-9H2,1-2H3,(H,19,21)

Composition: C (65.83%), H (6.14%), N (8.53%), O (9.74%), S (9.76%)

Molar Mass: 328.43

Atom Count: 43

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	328.124549066
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	NIKSBRRDIVUKAN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.31
Topological Polar Surface Area	50.36
Polarizability	34.5
Ring Count	4
Rotatable Bond Count	2

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20N2O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00