5-[(2-ethoxyphenyl)methyl]-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraen-6-one

5-[(2-ethoxyphenyl)methyl]-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraen-6-one

Formula: C18H15N3O2S2

SMILES: CCOC1=CC=CC=C1CN1C(=S)NC2=C(SC3=C2C=CC=N3)C1=O

IUPAC: 5-[(2-ethoxyphenyl)methyl]-4-sulfanylidene-8-thia-3,5,10-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),10,12-tetraen-6-one

InChI: InChI=1S/C18H15N3O2S2/c1-2-23-13-8-4-3-6-11(13)10-21-17(22)15-14(20-18(21)24)12-7-5-9-19-16(12)25-15/h3-9H,2,10H2,1H3,(H,20,24)

Composition: C (58.52%), H (4.09%), N (11.37%), O (8.66%), S (17.36%)

Molar Mass: 369.46

Atom Count: 40

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	369.060569083
Formal Charge	0
FSP3	0.17
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HCVLODQNKLTEEI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.41
Topological Polar Surface Area	54.46
Polarizability	39.26
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H15N3O2S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00