1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine

1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine

CAS: 845614-12-2

Formula: C21H20F7N3O4S

SMILES: C[C@@H](OC1=CC=C(C=C1C(=O)N1CCN(CC1)C1=NC=C(C=C1F)C(F)(F)F)S(C)(=O)=O)C(F)(F)F

IUPAC: 1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-4-(5-methanesulfonyl-2-{[(2R)-1,1,1-trifluoropropan-2-yl]oxy}benzoyl)piperazine

InChI: InChI=1S/C21H20F7N3O4S/c1-12(20(23,24)25)35-17-4-3-14(36(2,33)34)10-15(17)19(32)31-7-5-30(6-8-31)18-16(22)9-13(11-29-18)21(26,27)28/h3-4,9-12H,5-8H2,1-2H3/t12-/m1/s1

Composition: C (46.41%), H (3.71%), F (24.47%), N (7.73%), O (11.78%), S (5.90%)

Molar Mass: 543.46

Atom Count: 56

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	543.106274451
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
InChIKey	YUUGYIUSCYNSQR-GFCCVEGCSA-N
Lipinski's Rule of Five
Molar Refractivity	116.16
Topological Polar Surface Area	79.81
Polarizability	42.52
Ring Count	3
Rotatable Bond Count	7

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98%	<4 Days	845614-12-2		$150.59$150.59