3-{11-ethyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl (2E)-3-(furan-2-yl)prop-2-enoate

3-{11-ethyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl (2E)-3-(furan-2-yl)prop-2-enoate

Formula: C24H23N3O4S

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC(OC(=O)C=CC2=CC=CO2)=C1

IUPAC: 3-{11-ethyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}phenyl (2E)-3-(furan-2-yl)prop-2-enoate

InChI: InChI=1/C24H23N3O4S/c1-2-27-11-10-18-19(14-27)32-24-21(18)23(29)25-22(26-24)15-5-3-6-17(13-15)31-20(28)9-8-16-7-4-12-30-16/h3-9,12-13,22,26H,2,10-11,14H2,1H3,(H,25,29)/b9-8+

Composition: C (64.13%), H (5.16%), N (9.35%), O (14.24%), S (7.13%)

Molar Mass: 449.53

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	449.140927407
Formal Charge	0
FSP3	0.25
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DOFXCIBTYRSKNS-CMDGGOBGNA-N
Lipinski's Rule of Five	1
Molar Refractivity	124.2
Topological Polar Surface Area	83.81
Polarizability	46.1
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C24H23N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00