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

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

Formula: C32H42F6NOPS

SMILES: CN(C(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CC=CC=C1P(C1CCCCC1)C1CCCCC1)S(=O)C(C)(C)C

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

InChI: InChI=1/C32H42F6NOPS/c1-30(2,3)42(40)39(4)29(22-19-23(31(33,34)35)21-24(20-22)32(36,37)38)27-17-11-12-18-28(27)41(25-13-7-5-8-14-25)26-15-9-6-10-16-26/h11-12,17-21,25-26,29H,5-10,13-16H2,1-4H3

Composition: C (60.65%), H (6.68%), F (17.99%), N (2.21%), O (2.52%), P (4.89%), S (5.06%)

Molar Mass: 633.72

Atom Count: 84

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 633.262892126
Formal Charge 0
FSP3 0.62
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YEPMBIRTVRUNCS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 159.38
Topological Polar Surface Area 20.31
Polarizability 61.08
Ring Count 4
Rotatable Bond Count 9

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