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

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

Formula: C27H25N3O6

SMILES: COC1=CC=C(C=C1OC)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC=C(O)C(=C1)[N+]([O-])=O

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

InChI: InChI=1/C27H25N3O6/c1-35-24-10-8-15(14-25(24)36-2)17-11-20-26(23(32)13-17)27(29-19-6-4-3-5-18(19)28-20)16-7-9-22(31)21(12-16)30(33)34/h3-10,12,14,17,27-29,31H,11,13H2,1-2H3

Composition: C (66.52%), H (5.17%), N (8.62%), O (19.69%)

Molar Mass: 487.512

Atom Count: 61

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	487.174335537
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	AWXFXQWURIPOFP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	137.6
Topological Polar Surface Area	122.96
Polarizability	50.58
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H25N3O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00