benzyl 3-[1-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

benzyl 3-[1-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

Formula: C25H25NO5

SMILES: COC1=CC=C(C=C1)C(C)N1CC23OC(C=C2)C(C3C1=O)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-[1-(4-methoxyphenyl)ethyl]-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

InChI: InChI=1/C25H25NO5/c1-16(18-8-10-19(29-2)11-9-18)26-15-25-13-12-20(31-25)21(22(25)23(26)27)24(28)30-14-17-6-4-3-5-7-17/h3-13,16,20-22H,14-15H2,1-2H3

Composition: C (71.58%), H (6.01%), N (3.34%), O (19.07%)

Molar Mass: 419.477

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	419.173272909
Formal Charge	0
FSP3	0.36
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	IWQFKCBKKFOHQE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.83
Topological Polar Surface Area	65.07
Polarizability	44.78
Ring Count	5
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00