(S)-N-((1s,2s)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)ureido)cyclohexyl)-2-methylpropane-2-sulfinamide - CAS 1120500-27-7
Catalog: |
BB072549 |
Product Name: |
(S)-N-((1s,2s)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)ureido)cyclohexyl)-2-methylpropane-2-sulfinamide |
CAS: |
1120500-27-7 |
Synonyms: |
(S)-N-((1S,2S)-2-(3-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)UREIDO)CYCLOHEXYL)-2-METHYLPROPANE-2-SULFINAMIDE; 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]urea |
IUPAC Name: | 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1S,2S)-2-[[(S)-tert-butylsulfinyl]amino]cyclohexyl]urea |
Description: | (S)-N-((1s,2s)-2-(3-(3,5-Bis(trifluoromethyl)phenyl)ureido)cyclohexyl)-2-methylpropane-2-sulfinamide can be used as a catalyst. |
Molecular Weight: | 473.47 |
Molecular Formula: | C19H25N3O2F6S |
Canonical SMILES: | CC(C)(C)S(=O)NC1CCCCC1NC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
InChI: | InChI=1S/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)/t14-,15-,31-/m0/s1 |
InChI Key: | WMIJNZVQFOPOBW-JUJKSPDXSA-N |
Complexity: | 628 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 473.15716719 |
Formal Charge: | 0 |
Heavy Atom Count: | 31 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 473.15716719 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 89.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.5 |
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