4-{2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

4-{2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

Formula: C25H25NO4

SMILES: CC1=CC=C(C=C1C)C(=O)COC1=CC=CC=C1N1C(=O)C2C3CCC(C3)C2C1=O

IUPAC: 4-{2-[2-(3,4-dimethylphenyl)-2-oxoethoxy]phenyl}-4-azatricyclo[5.2.1.0²,?]decane-3,5-dione

InChI: InChI=1/C25H25NO4/c1-14-7-8-16(11-15(14)2)20(27)13-30-21-6-4-3-5-19(21)26-24(28)22-17-9-10-18(12-17)23(22)25(26)29/h3-8,11,17-18,22-23H,9-10,12-13H2,1-2H3

Composition: C (74.42%), H (6.25%), N (3.47%), O (15.86%)

Molar Mass: 403.478

Atom Count: 55

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	403.178358289
Formal Charge	0
FSP3	0.4
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	GNTRWAGUJADXEG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	112.65
Topological Polar Surface Area	63.68
Polarizability	43.52
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H25NO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00