14-(4-methoxyphenyl)-10-(4-methyl-3-nitrophenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

14-(4-methoxyphenyl)-10-(4-methyl-3-nitrophenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

Formula: C27H25N3O4

SMILES: COC1=CC=C(C=C1)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC=C(C)C(=C1)[N+]([O-])=O

IUPAC: 14-(4-methoxyphenyl)-10-(4-methyl-3-nitrophenyl)-2,9-diazatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7-tetraen-12-one

InChI: InChI=1/C27H25N3O4/c1-16-7-8-18(14-24(16)30(32)33)27-26-23(28-21-5-3-4-6-22(21)29-27)13-19(15-25(26)31)17-9-11-20(34-2)12-10-17/h3-12,14,19,27-29H,13,15H2,1-2H3

Composition: C (71.19%), H (5.53%), N (9.22%), O (14.05%)

Molar Mass: 455.514

Atom Count: 59

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	455.184506297
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	KXOFSJXBEJOGMY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	134.19
Topological Polar Surface Area	93.5
Polarizability	49.19
Ring Count	5
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25N3O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00