Parimifasor 25mg

CAT: 0628-A12594-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A12594-25Size:25 mg

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CAS Number

1796641-10-5

Chemical Information

Parimifasor

Parimifasor is a small molecule drug. Parimifasor has a monoisotopic molecular weight of 459.03 Da.

CAS Number	1796641-10-5
PubChem CID	135565102
IUPAC Name	3-chloro-N-[N-(3-chloro-5-fluorophenyl)-N'-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]benzamide
Molecular Formula	C18H11Cl2F4N5O
Molecular Weight	460.2
XLogP	5.7
Topological Polar Surface Area	82.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	638

SMILES

C1=CC(=CC(=C1)Cl)C(=O)NC(=NC2=NNC(=C2)C(F)(F)F)NC3=CC(=CC(=C3)Cl)F

InChI

InChI=1S/C18H11Cl2F4N5O/c19-10-3-1-2-9(4-10)16(30)27-17(25-13-6-11(20)5-12(21)7-13)26-15-8-14(28-29-15)18(22,23)24/h1-8H,(H3,25,26,27,28,29,30)

InChIKey

GPLAWHGEODGIAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1796641-10-5

CID: 135565102

Formula: C18H11Cl2F4N5O

MW: 460.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	460.2
XLogP3	5.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	5
Exact Mass	459.0276780
Monoisotopic Mass	459.0276780
Topological Polar Surface Area	82.2 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	638
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes