1-[3,5-bis(trifluoromethyl)phenyl]-3-{2-[(2-methylpropane-2-sulfinyl)amino]cyclohexyl}urea

1-[3,5-bis(trifluoromethyl)phenyl]-3-{2-[(2-methylpropane-2-sulfinyl)amino]cyclohexyl}urea

Formula: C19H25F6N3O2S

SMILES: CC(C)(C)S(=O)NC1CCCCC1NC(=O)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-3-{2-[(2-methylpropane-2-sulfinyl)amino]cyclohexyl}urea

InChI: InChI=1/C19H25F6N3O2S/c1-17(2,3)31(30)28-15-7-5-4-6-14(15)27-16(29)26-13-9-11(18(20,21)22)8-12(10-13)19(23,24)25/h8-10,14-15,28H,4-7H2,1-3H3,(H2,26,27,29)

Composition: C (48.20%), H (5.32%), F (24.08%), N (8.87%), O (6.76%), S (6.77%)

Molar Mass: 473.48

Atom Count: 56

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	473.157167209
Formal Charge	0
FSP3	0.63
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	3
InChIKey	WMIJNZVQFOPOBW-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.25
Topological Polar Surface Area	70.23
Polarizability	39.43
Ring Count	2
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C19H25F6N3O2S		Quote Only