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

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

Formula: C20H23N3O5S

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

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

InChI: InChI=1/C20H23N3O5S/c1-3-27-14-9-11(5-6-13(14)24)17-21-18(25)16-12-7-8-23(20(26)28-4-2)10-15(12)29-19(16)22-17/h5-6,9,17,22,24H,3-4,7-8,10H2,1-2H3,(H,21,25)

Composition: C (57.54%), H (5.55%), N (10.07%), O (19.16%), S (7.68%)

Molar Mass: 417.48

Atom Count: 52

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	417.135842027
Formal Charge	0
FSP3	0.4
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	YBLYLOFYZCTXCP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.35
Topological Polar Surface Area	100.13
Polarizability	40.96
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H23N3O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00