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

Formula: C19H21N3O5S

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

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

InChI: InChI=1/C19H21N3O5S/c1-3-27-19(25)22-7-6-11-14(9-22)28-18-15(11)17(24)20-16(21-18)10-4-5-12(23)13(8-10)26-2/h4-5,8,16,21,23H,3,6-7,9H2,1-2H3,(H,20,24)

Composition: C (56.56%), H (5.25%), N (10.42%), O (19.83%), S (7.95%)

Molar Mass: 403.45

Atom Count: 49

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	403.120191962
Formal Charge	0
FSP3	0.37
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	SBHPKIJIXKGGTM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.6
Topological Polar Surface Area	100.13
Polarizability	39.13
Ring Count	4
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H21N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00