FEN1-IN-2

CAT: 0607-BA5973-10Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5973-10Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

824983-94-0

Form

A solid

Molecular Formula

C20H15N3O4S

Molecular Weight

393.42

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Fen1-IN-2

CAS Number	824983-94-0
PubChem CID	11654052
IUPAC Name	4-[3-[(3-hydroxy-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)methyl]phenyl]benzamide
Molecular Formula	C20H15N3O4S
Molecular Weight	393.4
XLogP	2.3
Topological Polar Surface Area	132
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	28
Formal Charge	0
Complexity	637

SMILES

C1=CC(=CC(=C1)C2=CC=C(C=C2)C(=O)N)CN3C4=C(C(=O)N(C3=O)O)SC=C4

InChI

InChI=1S/C20H15N3O4S/c21-18(24)14-6-4-13(5-7-14)15-3-1-2-12(10-15)11-22-16-8-9-28-17(16)19(25)23(27)20(22)26/h1-10,27H,11H2,(H2,21,24)

InChIKey

VQEJSOSSYFEKGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 824983-94-0

CID: 11654052

Formula: C20H15N3O4S

MW: 393.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	393.4
XLogP3	2.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	393.07832714
Monoisotopic Mass	393.07832714
Topological Polar Surface Area	132 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	637
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