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TT-301

CAT: 0013-GTR19196278-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196278-01Size:25 mg
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Description
TT-301
CAS Number
886208-76-0
Smiles
C1 (=C (N=NC (=C1) C2=CC=CC=C2) N3CCN (CC3) C=4N=CC=CN4) C=5C=CN=CC5
Molecular Formula
C23H21N7
Molecular Weight
395.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tt-301

TT301 has been used in trials studying the treatment of Traumatic Brain Injury.

CAS Number886208-76-0
PubChem CID54576073
IUPAC Name6-phenyl-4-pyridin-4-yl-3-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazine
Molecular FormulaC23H21N7
Molecular Weight395.5
XLogP2.7
Topological Polar Surface Area70.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity506
SMILES
C1CN(CCN1C2=NN=C(C=C2C3=CC=NC=C3)C4=CC=CC=C4)C5=NC=CC=N5
InChI
InChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2
InChIKey
ZPJGUEPHFXPAQF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tt-301
CAS: 886208-76-0
CID: 54576073
Formula: C23H21N7
MW: 395.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.5
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass395.18584370
Monoisotopic Mass395.18584370
Topological Polar Surface Area70.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity506
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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