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AF48

CAT: 0931-T29685-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T29685-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
21868-47-3
Target
Others
Related Pathways
Others
Bioactivity
AF48 is a biochemical.
Smiles
NC1=NC(=NC(CN2CCN(CC2)C2=CC=CC=C2)=N1)N1CCOCC1
Molecular Formula
C18H25N7O
Molecular Weight
355.44
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

s-Triazine, 2-amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-
CAS Number21868-47-3
PubChem CID210898
IUPAC Name4-morpholin-4-yl-6-[(4-phenylpiperazin-1-yl)methyl]-1,3,5-triazin-2-amine
Molecular FormulaC18H25N7O
Molecular Weight355.4
XLogP1.2
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity420
SMILES
C1CN(CCN1CC2=NC(=NC(=N2)N3CCOCC3)N)C4=CC=CC=C4
InChI
InChI=1S/C18H25N7O/c19-17-20-16(21-18(22-17)25-10-12-26-13-11-25)14-23-6-8-24(9-7-23)15-4-2-1-3-5-15/h1-5H,6-14H2,(H2,19,20,21,22)
InChIKey
XOJPBSDJHKZZML-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of s-Triazine, 2-amino-4-morpholino-6-((4-phenyl-1-piperazinyl)methyl)-
CAS: 21868-47-3
CID: 210898
Formula: C18H25N7O
MW: 355.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.4
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass355.21205845
Monoisotopic Mass355.21205845
Topological Polar Surface Area83.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity420
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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CatalogName
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