1-(diphenylmethyl)-4-[3-(4-fluoro-2-nitrophenoxy)thiophene-2-carbonyl]piperazine

1-(diphenylmethyl)-4-[3-(4-fluoro-2-nitrophenoxy)thiophene-2-carbonyl]piperazine

CAS: 306977-54-8

Formula: C28H24FN3O4S

SMILES: [O-][N+](=O)C1=C(OC2=C(SC=C2)C(=O)N2CCN(CC2)C(C2=CC=CC=C2)C2=CC=CC=C2)C=CC(F)=C1

IUPAC: 1-(diphenylmethyl)-4-[3-(4-fluoro-2-nitrophenoxy)thiophene-2-carbonyl]piperazine

InChI: InChI=1S/C28H24FN3O4S/c29-22-11-12-24(23(19-22)32(34)35)36-25-13-18-37-27(25)28(33)31-16-14-30(15-17-31)26(20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-13,18-19,26H,14-17H2

Composition: C (64.98%), H (4.67%), F (3.67%), N (8.12%), O (12.36%), S (6.19%)

Molar Mass: 517.58

Atom Count: 61

Heavy Atom Count: 37

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	517.147155602
Formal Charge	0
FSP3	0.18
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	ZBDMLRCELDSKSX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	139.54
Topological Polar Surface Area	75.92
Polarizability	52.89
Ring Count	5
Rotatable Bond Count	7

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90%	<2 Days	306977-54-8		$51.35-$86.31$51.35$63.37$86.31