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OSU-T315 10mg

CAT: 0628-A20870-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20870-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2070015-22-2

Chemical Information

Ilk-IN-2
CAS Number2070015-22-2
PubChem CID118986645
IUPAC NameN-methyl-3-[1-(4-piperazin-1-ylphenyl)-3-[4-[4-(trifluoromethyl)phenyl]phenyl]pyrazol-5-yl]propanamide
Molecular FormulaC30H30F3N5O
Molecular Weight533.6
XLogP5.1
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count39
Formal Charge0
Complexity767
SMILES
CNC(=O)CCC1=CC(=NN1C2=CC=C(C=C2)N3CCNCC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(F)(F)F
InChI
InChI=1S/C30H30F3N5O/c1-34-29(39)15-14-27-20-28(36-38(27)26-12-10-25(11-13-26)37-18-16-35-17-19-37)23-4-2-21(3-5-23)22-6-8-24(9-7-22)30(31,32)33/h2-13,20,35H,14-19H2,1H3,(H,34,39)
InChIKey
AJLOJUFSIDSBNN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ilk-IN-2
CAS: 2070015-22-2
CID: 118986645
Formula: C30H30F3N5O
MW: 533.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight533.6
XLogP35.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass533.24024508
Monoisotopic Mass533.24024508
Topological Polar Surface Area62.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity767
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