12-methoxy-7-(3-nitrophenyl)-4-phenyl-8-oxa-5,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),4,10,12-tetraene

12-methoxy-7-(3-nitrophenyl)-4-phenyl-8-oxa-5,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),4,10,12-tetraene

CAS: 1388151-90-3

Formula: C23H19N3O4

SMILES: COC1=CC2=C(OC(N3N=C(CC23)C2=CC=CC=C2)C2=CC=CC(=C2)[N+]([O-])=O)C=C1

IUPAC: 12-methoxy-7-(3-nitrophenyl)-4-phenyl-8-oxa-5,6-diazatricyclo[7.4.0.0²,?]trideca-1(9),4,10,12-tetraene

InChI: InChI=1/C23H19N3O4/c1-29-18-10-11-22-19(13-18)21-14-20(15-6-3-2-4-7-15)24-25(21)23(30-22)16-8-5-9-17(12-16)26(27)28/h2-13,21,23H,14H2,1H3

Composition: C (68.82%), H (4.77%), N (10.47%), O (15.94%)

Molar Mass: 401.422

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	2
Exact Mass	401.137556104
Formal Charge	0
FSP3	0.17
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	VTKZDTUTWZFSRQ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.66
Topological Polar Surface Area	77.2
Polarizability	42.6
Ring Count	5
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1388151-90-3		$572.47-$2,559.73$572.47$572.47$1,566.65$1,566.65$2,559.73