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

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

Formula: C18H18N2O3S

SMILES: CCOC1=CC(=CC=C1O)C1=NC(=O)C2=C(N1)SC1=C2CCCC1

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

InChI: InChI=1S/C18H18N2O3S/c1-2-23-13-9-10(7-8-12(13)21)16-19-17(22)15-11-5-3-4-6-14(11)24-18(15)20-16/h7-9,21H,2-6H2,1H3,(H,19,20,22)

Composition: C (63.14%), H (5.30%), N (8.18%), O (14.02%), S (9.36%)

Molar Mass: 342.41

Atom Count: 42

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	342.103813622
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	WVCSZOZUWGBPTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.51
Topological Polar Surface Area	70.92
Polarizability	34.91
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N2O3S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00