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

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

Formula: C28H27N3O5

SMILES: CCOC1=CC=C(C=C1OC)C1CC(=O)C2=C(C1)NC1=CC=CC=C1NC2C1=CC=CC=C1[N+]([O-])=O

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

InChI: InChI=1/C28H27N3O5/c1-3-36-25-13-12-17(16-26(25)35-2)18-14-22-27(24(32)15-18)28(19-8-4-7-11-23(19)31(33)34)30-21-10-6-5-9-20(21)29-22/h4-13,16,18,28-30H,3,14-15H2,1-2H3

Composition: C (69.26%), H (5.61%), N (8.65%), O (16.48%)

Molar Mass: 485.54

Atom Count: 63

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	485.195070981
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	MVTSUPSOFALPJQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	140.36
Topological Polar Surface Area	102.73
Polarizability	51.79
Ring Count	5
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C28H27N3O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00