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

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

Formula: C25H25N3O4S

SMILES: CCOC(=O)N1CCC2=C(C1)SC1=C2C(=O)NC(N1)C1=CC=CC(OCC2=CC=CC=C2)=C1

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

InChI: InChI=1/C25H25N3O4S/c1-2-31-25(30)28-12-11-19-20(14-28)33-24-21(19)23(29)26-22(27-24)17-9-6-10-18(13-17)32-15-16-7-4-3-5-8-16/h3-10,13,22,27H,2,11-12,14-15H2,1H3,(H,26,29)

Composition: C (64.78%), H (5.44%), N (9.07%), O (13.81%), S (6.92%)

Molar Mass: 463.55

Atom Count: 58

Heavy Atom Count: 33

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	463.156577471
Formal Charge	0
FSP3	0.28
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OHEGDDLGYFNSEZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	127.23
Topological Polar Surface Area	79.9
Polarizability	48.01
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00