ethyl 5-(furan-2-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

ethyl 5-(furan-2-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

Formula: C16H17N3O4S

SMILES: CCOC(=O)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CO1

IUPAC: ethyl 5-(furan-2-yl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.0²,?]trideca-1(9),2(7)-diene-11-carboxylate

InChI: InChI=1/C16H17N3O4S/c1-2-22-16(21)19-6-5-9-11(8-19)24-15-12(9)14(20)17-13(18-15)10-4-3-7-23-10/h3-4,7,13,18H,2,5-6,8H2,1H3,(H,17,20)

Composition: C (55.32%), H (4.93%), N (12.10%), O (18.42%), S (9.23%)

Molar Mass: 347.39

Atom Count: 41

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	347.093977213
Formal Charge	0
FSP3	0.37
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	XJBKZNZGQKWZDF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.54
Topological Polar Surface Area	83.81
Polarizability	32.9
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H17N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00