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RWJ-445167 1mg

CAT: 0628-A12154-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0628-A12154-1Size:1 mg
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CAS Number
226566-43-4

Chemical Information

N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxopyridin-1-yl]acetamide
CAS Number226566-43-4
PubChem CID15887336
IUPAC NameN-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxo-1-pyridinyl]acetamide
Molecular FormulaC18H24N6O5S
Molecular Weight436.5
XLogP0.1
Topological Polar Surface Area178
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count30
Formal Charge0
Complexity842
SMILES
CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(N(C2=O)CC(=O)NCCON=C(N)N)C
InChI
InChI=1S/C18H24N6O5S/c1-12-4-3-5-14(10-12)30(27,28)23-15-7-6-13(2)24(17(15)26)11-16(25)21-8-9-29-22-18(19)20/h3-7,10,23H,8-9,11H2,1-2H3,(H,21,25)(H4,19,20,22)
InChIKey
GHCPCZIUEYRYJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-3-[(3-methylphenyl)sulfonylamino]-2-oxopyridin-1-yl]acetamide
CAS: 226566-43-4
CID: 15887336
Formula: C18H24N6O5S
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP30.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass436.15288906
Monoisotopic Mass436.15288906
Topological Polar Surface Area178 Ų
Heavy Atom Count30
Formal Charge0
Complexity842
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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