1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]piperidine-4-carboxamide

1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]piperidine-4-carboxamide

CAS: 339276-45-8

Formula: C24H26F3N5O6

SMILES: CN1OC(CNC(=O)C2CCN(CC2)C2=C(C=C(C=C2[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O)CC1C1=CC=CC=C1

IUPAC: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-N-[(2-methyl-3-phenyl-1,2-oxazolidin-5-yl)methyl]piperidine-4-carboxamide

InChI: InChI=1/C24H26F3N5O6/c1-29-19(15-5-3-2-4-6-15)13-18(38-29)14-28-23(33)16-7-9-30(10-8-16)22-20(31(34)35)11-17(24(25,26)27)12-21(22)32(36)37/h2-6,11-12,16,18-19H,7-10,13-14H2,1H3,(H,28,33)

Composition: C (53.63%), H (4.88%), F (10.60%), N (13.03%), O (17.86%)

Molar Mass: 537.496

Atom Count: 64

Heavy Atom Count: 38

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	537.183518066
Formal Charge	0
FSP3	0.46
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	1
InChIKey	IJGWXJYKPWJGNX-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	130.02
Topological Polar Surface Area	131.09
Polarizability	48.31
Ring Count	4
Rotatable Bond Count	8

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