4-{11-ethyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}-2-methoxyphenyl thiophene-2-carboxylate

4-{11-ethyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}-2-methoxyphenyl thiophene-2-carboxylate

Formula: C23H23N3O4S2

SMILES: CCN1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(OC(=O)C2=CC=CS2)C(OC)=C1

IUPAC: 4-{11-ethyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-dien-5-yl}-2-methoxyphenyl thiophene-2-carboxylate

InChI: InChI=1/C23H23N3O4S2/c1-3-26-9-8-14-18(12-26)32-22-19(14)21(27)24-20(25-22)13-6-7-15(16(11-13)29-2)30-23(28)17-5-4-10-31-17/h4-7,10-11,20,25H,3,8-9,12H2,1-2H3,(H,24,27)

Composition: C (58.83%), H (4.94%), N (8.95%), O (13.63%), S (13.65%)

Molar Mass: 469.57

Atom Count: 55

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	469.112998581
Formal Charge	0
FSP3	0.3
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	UBQIRKHVANBIFP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	125.41
Topological Polar Surface Area	79.9
Polarizability	46.99
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C23H23N3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00