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RP 70676 5mg

CAT: 0628-A19362-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19362-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
136609-26-2

Chemical Information

1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3,5-dimethylpyrazole
CAS Number136609-26-2
PubChem CID9844830
IUPAC Name1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3,5-dimethylpyrazole
Molecular FormulaC25H28N4S
Molecular Weight416.6
XLogP6
Topological Polar Surface Area71.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity492
SMILES
CC1=CC(=NN1CCCCCSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C25H28N4S/c1-19-18-20(2)29(28-19)16-10-5-11-17-30-25-26-23(21-12-6-3-7-13-21)24(27-25)22-14-8-4-9-15-22/h3-4,6-9,12-15,18H,5,10-11,16-17H2,1-2H3,(H,26,27)
InChIKey
UUPITLNVYVCTFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3,5-dimethylpyrazole
CAS: 136609-26-2
CID: 9844830
Formula: C25H28N4S
MW: 416.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.6
XLogP36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count9
Exact Mass416.20346808
Monoisotopic Mass416.20346808
Topological Polar Surface Area71.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity492
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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