pentyl 3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

pentyl 3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

Formula: C20H21ClFNO4

SMILES: CCCCCOC(=O)C1C2OC3(CN(C(=O)C13)C1=CC=C(Cl)C(F)=C1)C=C2

IUPAC: pentyl 3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

InChI: InChI=1/C20H21ClFNO4/c1-2-3-4-9-26-19(25)16-15-7-8-20(27-15)11-23(18(24)17(16)20)12-5-6-13(21)14(22)10-12/h5-8,10,15-17H,2-4,9,11H2,1H3

Composition: C (60.99%), H (5.37%), Cl (9.00%), F (4.82%), N (3.56%), O (16.25%)

Molar Mass: 393.84

Atom Count: 48

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	4
Exact Mass	393.114314
Formal Charge	0
FSP3	0.5
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GHVYVICBHNPNTD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.99
Topological Polar Surface Area	55.84
Polarizability	38
Ring Count	4
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H21ClFNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00