1-[(2-methoxy-5-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}phenyl)methyl]-4-(4-nitrophenyl)piperazine

1-[(2-methoxy-5-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}phenyl)methyl]-4-(4-nitrophenyl)piperazine

Formula: C29H31N5O3

SMILES: COC1=CC=C(C=C1CN1CCN(CC1)C1=CC=C(C=C1)[N+]([O-])=O)C1NCCC2=C1NC1=CC=CC=C21

IUPAC: 1-[(2-methoxy-5-{1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl}phenyl)methyl]-4-(4-nitrophenyl)piperazine

InChI: InChI=1/C29H31N5O3/c1-37-27-11-6-20(28-29-25(12-13-30-28)24-4-2-3-5-26(24)31-29)18-21(27)19-32-14-16-33(17-15-32)22-7-9-23(10-8-22)34(35)36/h2-11,18,28,30-31H,12-17,19H2,1H3

Composition: C (70.00%), H (6.28%), N (14.07%), O (9.65%)

Molar Mass: 497.599

Atom Count: 68

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	1
Exact Mass	497.242689878
Formal Charge	0
FSP3	0.31
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	VTMALPXYFQHBFL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	145.74
Topological Polar Surface Area	86.67
Polarizability	56.48
Ring Count	6
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C29H31N5O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00