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VU6004909

CAT: 0127-BUP04009-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP04009-02Size:10 mg
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CAS Number
1860797-76-7
Synonyms
VU 6004909
Purity
=95%
Smiles
O=C(NC1=CC=C(C=C1F)N2C(=O)C3=CC=C(C=C3C2=O)C)C=4OC=CC4C

Chemical Information

N-[4-(1,3-Dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)-2-fluorophenyl]-3-methyl-2-furancarboxamide
CAS Number1860797-76-7
PubChem CID127026165
IUPAC NameN-[2-fluoro-4-(5-methyl-1,3-dioxoisoindol-2-yl)phenyl]-3-methylfuran-2-carboxamide
Molecular FormulaC21H15FN2O4
Molecular Weight378.4
XLogP3.5
Topological Polar Surface Area79.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity656
SMILES
CC1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC(=C(C=C3)NC(=O)C4=C(C=CO4)C)F
InChI
InChI=1S/C21H15FN2O4/c1-11-3-5-14-15(9-11)21(27)24(20(14)26)13-4-6-17(16(22)10-13)23-19(25)18-12(2)7-8-28-18/h3-10H,1-2H3,(H,23,25)
InChIKey
OFLFGTPTGVETJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-(1,3-Dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)-2-fluorophenyl]-3-methyl-2-furancarboxamide
CAS: 1860797-76-7
CID: 127026165
Formula: C21H15FN2O4
MW: 378.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass378.10158513
Monoisotopic Mass378.10158513
Topological Polar Surface Area79.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity656
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
MBS5821445VU6004909

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