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

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

Formula: C19H20N4O7S

SMILES: CCOC(=O)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=C(O)C(OC)=C1[N+]([O-])=O

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

InChI: InChI=1/C19H20N4O7S/c1-3-30-19(26)22-7-6-9-12(8-22)31-18-13(9)17(25)20-16(21-18)10-4-5-11(24)15(29-2)14(10)23(27)28/h4-5,16,21,24H,3,6-8H2,1-2H3,(H,20,25)

Composition: C (50.89%), H (4.50%), N (12.49%), O (24.97%), S (7.15%)

Molar Mass: 448.45

Atom Count: 51

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	448.105270174
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	NWNJBZWPUTZAES-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.92
Topological Polar Surface Area	143.27
Polarizability	41.15
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N4O7S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00