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N-{[3,5-bis(trifluoromethyl)phenyl][2-(di-tert-butylphosphanyl)phenyl]methyl}-N,2-dimethylpropane-2-sulfinamide

N-{[3,5-bis(trifluoromethyl)phenyl][2-(di-tert-butylphosphanyl)phenyl]methyl}-N,2-dimethylpropane-2-sulfinamide

Formula: C28H38F6NOPS

SMILES: CN(C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC=CC=C1P(C(C)(C)C)C(C)(C)C)S(=O)C(C)(C)C

IUPAC: N-{[3,5-bis(trifluoromethyl)phenyl][2-(di-tert-butylphosphanyl)phenyl]methyl}-N,2-dimethylpropane-2-sulfinamide

InChI: InChI=1/C28H38F6NOPS/c1-24(2,3)37(25(4,5)6)22-14-12-11-13-21(22)23(35(10)38(36)26(7,8)9)18-15-19(27(29,30)31)17-20(16-18)28(32,33)34/h11-17,23H,1-10H3

Composition: C (57.82%), H (6.59%), F (19.60%), N (2.41%), O (2.75%), P (5.33%), S (5.51%)

Molar Mass: 581.64

Atom Count: 76

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 581.231591998
Formal Charge 0
FSP3 0.57
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BELUDLNVUMPTFA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 145.06
Topological Polar Surface Area 20.31
Polarizability 55.2
Ring Count 2
Rotatable Bond Count 9

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