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UCM 454

CAT: 0931-T34982Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T34982Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
364629-05-0
Target
Others
Related Pathways
Others
Bioactivity
UCM 454 is a bioactive chemical.
Smiles
O=C(NCC1=CC=2C(OC)=CC=CC2N1CC3=CC=C(Cl)C=C3)CC
Molecular Formula
C20H21ClN2O2
Molecular Weight
356.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ucm-454
CAS Number364629-05-0
PubChem CID10428383
IUPAC NameN-[[1-[(4-chlorophenyl)methyl]-4-methoxyindol-2-yl]methyl]propanamide
Molecular FormulaC20H21ClN2O2
Molecular Weight356.8
XLogP3.8
Topological Polar Surface Area43.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity439
SMILES
CCC(=O)NCC1=CC2=C(N1CC3=CC=C(C=C3)Cl)C=CC=C2OC
InChI
InChI=1S/C20H21ClN2O2/c1-3-20(24)22-12-16-11-17-18(5-4-6-19(17)25-2)23(16)13-14-7-9-15(21)10-8-14/h4-11H,3,12-13H2,1-2H3,(H,22,24)
InChIKey
XXXKKZBZKUDKMA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ucm-454
CAS: 364629-05-0
CID: 10428383
Formula: C20H21ClN2O2
MW: 356.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight356.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass356.1291556
Monoisotopic Mass356.1291556
Topological Polar Surface Area43.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity439
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