6-nitro-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]spiro[1,3-benzodiazole-2,1'-cyclohexan]-3-ium-3-olate

6-nitro-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]spiro[1,3-benzodiazole-2,1'-cyclohexan]-3-ium-3-olate

Formula: C21H31N5O3

SMILES: CC1(C)CC(CC(C)(C)N1)NC1=C(C=CC2=[N+]([O-])C3(CCCCC3)N=C12)[N+]([O-])=O

IUPAC: 6-nitro-7-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]spiro[1,3-benzodiazole-2,1'-cyclohexan]-3-ium-3-olate

InChI: InChI=1S/C21H31N5O3/c1-19(2)12-14(13-20(3,4)24-19)22-17-16(26(28)29)9-8-15-18(17)23-21(25(15)27)10-6-5-7-11-21/h8-9,14,22,24H,5-7,10-13H2,1-4H3

Composition: C (62.82%), H (7.78%), N (17.44%), O (11.95%)

Molar Mass: 401.511

Atom Count: 60

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	401.242689878
Formal Charge	0
FSP3	0.71
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	GUZWEHOVUKMANF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	114.87
Topological Polar Surface Area	105.63
Polarizability	42.53
Ring Count	4
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H31N5O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00