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SBC-110736

CAT: 0607-BA8065-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8065-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1629166-02-4
Form
A solid
Molecular Formula
C26H27N3O2
Molecular Weight
413.51
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

N-(4-(2-phenyl-4-(p-tolyl)piperazine-1-carbonyl)phenyl)acetamide
CAS Number1629166-02-4
PubChem CID78425817
IUPAC NameN-[4-[4-(4-methylphenyl)-2-phenylpiperazine-1-carbonyl]phenyl]acetamide
Molecular FormulaC26H27N3O2
Molecular Weight413.5
XLogP4
Topological Polar Surface Area52.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity602
SMILES
CC1=CC=C(C=C1)N2CCN(C(C2)C3=CC=CC=C3)C(=O)C4=CC=C(C=C4)NC(=O)C
InChI
InChI=1S/C26H27N3O2/c1-19-8-14-24(15-9-19)28-16-17-29(25(18-28)21-6-4-3-5-7-21)26(31)22-10-12-23(13-11-22)27-20(2)30/h3-15,25H,16-18H2,1-2H3,(H,27,30)
InChIKey
PILMFSWQYWYOJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(2-phenyl-4-(p-tolyl)piperazine-1-carbonyl)phenyl)acetamide
CAS: 1629166-02-4
CID: 78425817
Formula: C26H27N3O2
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass413.21032711
Monoisotopic Mass413.21032711
Topological Polar Surface Area52.7 Ų
Heavy Atom Count31
Formal Charge0
Complexity602
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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