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FEN1-IN-SC13

CAT: 0607-BA4090-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4090-25Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2098776-03-3
Form
A solid
Molecular Formula
C24H23N3O3S
Molecular Weight
433.52
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Fen1-IN-SC13
CAS Number2098776-03-3
PubChem CID162623411
IUPAC NameN-[3-[(2,4-dioxo-3-propylthieno[3,2-d]pyrimidin-1-yl)methyl]phenyl]-2-phenylacetamide
Molecular FormulaC24H23N3O3S
Molecular Weight433.5
XLogP4
Topological Polar Surface Area98
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity666
SMILES
CCCN1C(=O)C2=C(C=CS2)N(C1=O)CC3=CC(=CC=C3)NC(=O)CC4=CC=CC=C4
InChI
InChI=1S/C24H23N3O3S/c1-2-12-26-23(29)22-20(11-13-31-22)27(24(26)30)16-18-9-6-10-19(14-18)25-21(28)15-17-7-4-3-5-8-17/h3-11,13-14H,2,12,15-16H2,1H3,(H,25,28)
InChIKey
USTMMKOHIRMBIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fen1-IN-SC13
CAS: 2098776-03-3
CID: 162623411
Formula: C24H23N3O3S
MW: 433.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass433.14601278
Monoisotopic Mass433.14601278
Topological Polar Surface Area98 Ų
Heavy Atom Count31
Formal Charge0
Complexity666
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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