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YM 511

CAT: 1410-M27743-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M27743-01Size:1 Each
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Description
Aromatase (CYP19) inhibitor.
CAS Number
148869-05-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
354.211
Molecular Formula
C16H12BrN5
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
CAS Number148869-05-0
PubChem CID177865
IUPAC Name4-[(4-bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
Molecular FormulaC16H12BrN5
Molecular Weight354.20
XLogP3.4
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity387
SMILES
C1=CC(=CC=C1CN(C2=CC=C(C=C2)C#N)N3C=NN=C3)Br
InChI
InChI=1S/C16H12BrN5/c17-15-5-1-14(2-6-15)10-22(21-11-19-20-12-21)16-7-3-13(9-18)4-8-16/h1-8,11-12H,10H2
InChIKey
GGPPBTSXFROGAE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(4-Bromophenyl)methyl-(1,2,4-triazol-4-yl)amino]benzonitrile
CAS: 148869-05-0
CID: 177865
Formula: C16H12BrN5
MW: 354.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.20
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass353.02761
Monoisotopic Mass353.02761
Topological Polar Surface Area57.7 Ų
Heavy Atom Count22
Formal Charge0
Complexity387
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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