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

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

Formula: C17H19N3O2S

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C=CC1=CC=CO1

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

InChI: InChI=1/C17H19N3O2S/c1-2-20-8-7-12-13(10-20)23-17-15(12)16(21)18-14(19-17)6-5-11-4-3-9-22-11/h3-6,9,14,19H,2,7-8,10H2,1H3,(H,18,21)/b6-5+

Composition: C (61.98%), H (5.81%), N (12.76%), O (9.71%), S (9.73%)

Molar Mass: 329.42

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	329.119798038
Formal Charge	0
FSP3	0.35
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XDZYNNMMCPDSAI-AATRIKPKNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.97
Topological Polar Surface Area	57.51
Polarizability	33.92
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19N3O2S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00