5-(4-ethoxyphenyl)-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

5-(4-ethoxyphenyl)-11-ethyl-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-3-one

Formula: C19H23N3O2S

SMILES: CCOC1=CC=C(C=C1)C1NC2=C(C3=C(CN(CC)CC3)S2)C(=O)N1

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

InChI: InChI=1/C19H23N3O2S/c1-3-22-10-9-14-15(11-22)25-19-16(14)18(23)20-17(21-19)12-5-7-13(8-6-12)24-4-2/h5-8,17,21H,3-4,9-11H2,1-2H3,(H,20,23)

Composition: C (63.84%), H (6.49%), N (11.76%), O (8.95%), S (8.97%)

Molar Mass: 357.47

Atom Count: 48

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	357.151098167
Formal Charge	0
FSP3	0.42
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DMTWDZFBGCKDMW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	101.47
Topological Polar Surface Area	53.6
Polarizability	37.95
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H23N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00