1-({3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}methyl)-4-(4-methylphenyl)-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

1-({3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}methyl)-4-(4-methylphenyl)-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

Formula: C25H22N2O5

SMILES: CC1=CC=C(C=C1)N1C(=O)C2C3OC(CN4C(=O)C5C6CC(C=C6)C5C4=O)(C=C3)C2C1=O

IUPAC: 1-({3,5-dioxo-4-azatricyclo[5.2.1.0²,?]dec-8-en-4-yl}methyl)-4-(4-methylphenyl)-10-oxa-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

InChI: InChI=1/C25H22N2O5/c1-12-2-6-15(7-3-12)27-23(30)19-16-8-9-25(32-16,20(19)24(27)31)11-26-21(28)17-13-4-5-14(10-13)18(17)22(26)29/h2-9,13-14,16-20H,10-11H2,1H3

Composition: C (69.76%), H (5.15%), N (6.51%), O (18.58%)

Molar Mass: 430.46

Atom Count: 54

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	8
Exact Mass	430.152871816
Formal Charge	0
FSP3	0.44
Hetero Ring Count	4
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	GVMWDTYFFKRHRZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.33
Topological Polar Surface Area	83.99
Polarizability	43.67
Ring Count	7
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H22N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00