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

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

Formula: C18H20N2O3S

SMILES: COC1=CC=C(OC)C(=C1)C1NC2=C(C3=C(CCCC3)S2)C(=O)N1

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

InChI: InChI=1/C18H20N2O3S/c1-22-10-7-8-13(23-2)12(9-10)16-19-17(21)15-11-5-3-4-6-14(11)24-18(15)20-16/h7-9,16,20H,3-6H2,1-2H3,(H,19,21)

Composition: C (62.77%), H (5.85%), N (8.13%), O (13.94%), S (9.31%)

Molar Mass: 344.43

Atom Count: 44

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	344.119463686
Formal Charge	0
FSP3	0.39
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	ZGUFOCOCCZWAAX-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.22
Topological Polar Surface Area	59.59
Polarizability	35.2
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00