4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-4-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide

CAS Registry Number®

107047-28-9
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CAS Name

4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-4-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide

Molecular Formula

C40H50N8O4S

Molecular Mass

738.94

Cite this Page

4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-4-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=107047-28-9 (retrieved 2024-09-06) (CAS RN: 107047-28-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    184-187 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C40H50N8O4S/c1-7-39(3,4)27-13-22-33(32(26-27)40(5,6)8-2)52-25-11-12-34(50)41-28-14-16-29(17-15-28)47-37(51)35(36(43-47)46-23-9-10-24-46)53-38-42-44-45-48(38)30-18-20-31(49)21-19-30/h13-22,26,35,49H,7-12,23-25H2,1-6H3,(H,41,50)

InChIKey

InChIKey=CQPXMSQZGVZRIN-UHFFFAOYSA-N

SMILES

S(C1C(=NN(C1=O)C2=CC=C(NC(CCCOC3=C(C(CC)(C)C)C=C(C(CC)(C)C)C=C3)=O)C=C2)N4CCCC4)C=5N(N=NN5)C6=CC=C(O)C=C6

Canonical SMILES

O=C(NC1=CC=C(C=C1)N2N=C(N3CCCC3)C(SC4=NN=NN4C5=CC=C(O)C=C5)C2=O)CCCOC6=CC=C(C=C6C(C)(C)CC)C(C)(C)CC

Other Names for this Substance

  • Butanamide, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-4-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]-
  • 4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-N-[4-[4,5-dihydro-4-[[1-(4-hydroxyphenyl)-1H-tetrazol-5-yl]thio]-5-oxo-3-(1-pyrrolidinyl)-1H-pyrazol-1-yl]phenyl]butanamide