7-butyl-4-(4-nitrophenyl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

7-butyl-4-(4-nitrophenyl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

Formula: C19H18N4O2

SMILES: CCCCN1C2=CC=CC=C2N2C=C(N=C12)C1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 7-butyl-4-(4-nitrophenyl)-2,5,7-triazatricyclo[6.4.0.0²,?]dodeca-1(12),3,5,8,10-pentaene

InChI: InChI=1S/C19H18N4O2/c1-2-3-12-21-17-6-4-5-7-18(17)22-13-16(20-19(21)22)14-8-10-15(11-9-14)23(24)25/h4-11,13H,2-3,12H2,1H3

Composition: C (68.25%), H (5.43%), N (16.76%), O (9.57%)

Molar Mass: 334.379

Atom Count: 43

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	334.142975836
Formal Charge	0
FSP3	0.21
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	GIPUVDVXENRQAP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.32
Topological Polar Surface Area	65.37
Polarizability	38.61
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H18N4O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00