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BRD2577

CAT: 0013-GTR19199426-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19199426-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD2577
CAS Number
353781-42-7
Smiles
CC (=O) NC1=CC=C (C=C1) C (=O) CSC1=NC (O) =CC (C) =N1
Molecular Formula
C15H15N3O3S
Molecular Weight
317.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
CAS Number353781-42-7
PubChem CID135446479
IUPAC NameN-[4-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
Molecular FormulaC15H15N3O3S
Molecular Weight317.4
XLogP1.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity534
SMILES
CC1=CC(=O)NC(=N1)SCC(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C15H15N3O3S/c1-9-7-14(21)18-15(16-9)22-8-13(20)11-3-5-12(6-4-11)17-10(2)19/h3-7H,8H2,1-2H3,(H,17,19)(H,16,18,21)
InChIKey
NZVOKXQPGIDGBV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[4-[2-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]phenyl]acetamide
CAS: 353781-42-7
CID: 135446479
Formula: C15H15N3O3S
MW: 317.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.4
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass317.08341252
Monoisotopic Mass317.08341252
Topological Polar Surface Area113 Ų
Heavy Atom Count22
Formal Charge0
Complexity534
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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