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Evifacotrep

CAT: 0127-BUP12800-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP12800-06Size:200 mg
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CAS Number
2413739-88-3
Purity
=98%
Smiles
Fc1ccc(Oc2ncnc3CN(CCc23)c2cn[nH]c(=O)c2Cl)c(c1)C(F)(F)F

Chemical Information

Evifacotrep

Evifacotrep is a small molecule drug. The usage of the INN stem '-cotrep' in the name indicates that Evifacotrep is a transient receptor potential canonical channel 5 (TRPC5) antagonist. Evifacotrep has a monoisotopic molecular weight of 441.06 Da.

CAS Number2413739-88-3
PubChem CID146448026
IUPAC Name5-chloro-4-[4-[4-fluoro-2-(trifluoromethyl)phenoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-1H-pyridazin-6-one
Molecular FormulaC18H12ClF4N5O2
Molecular Weight441.8
XLogP3.1
Topological Polar Surface Area79.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity734
SMILES
C1CN(CC2=C1C(=NC=N2)OC3=C(C=C(C=C3)F)C(F)(F)F)C4=C(C(=O)NN=C4)Cl
InChI
InChI=1S/C18H12ClF4N5O2/c19-15-13(6-26-27-16(15)29)28-4-3-10-12(7-28)24-8-25-17(10)30-14-2-1-9(20)5-11(14)18(21,22)23/h1-2,5-6,8H,3-4,7H2,(H,27,29)
InChIKey
IQFZADSTVFSHDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Evifacotrep
CAS: 2413739-88-3
CID: 146448026
Formula: C18H12ClF4N5O2
MW: 441.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.8
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass441.0615650
Monoisotopic Mass441.0615650
Topological Polar Surface Area79.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity734
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

Alternative Products

CatalogName
BA7044-5.1Evifacotrep

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