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ML-077

CAT: 0013-GTR19208898-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208898-01Size:25 mg
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Description
ML-077
CAS Number
1135304-61-8
Smiles
CN (C (=O) CSc1ccc (nn1) -c1ccccc1) c1nc (C) cs1
Molecular Formula
C17H16N4OS2
Molecular Weight
356.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-methyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide

N-methyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide is a ring assembly and a member of pyridazines.

CAS Number1135304-61-8
PubChem CID25067404
IUPAC NameN-methyl-N-(4-methyl-1,3-thiazol-2-yl)-2-(6-phenylpyridazin-3-yl)sulfanylacetamide
Molecular FormulaC17H16N4OS2
Molecular Weight356.5
XLogP3.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity419
SMILES
CC1=CSC(=N1)N(C)C(=O)CSC2=NN=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C17H16N4OS2/c1-12-10-24-17(18-12)21(2)16(22)11-23-15-9-8-14(19-20-15)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
InChIKey
POKKSIROKFEGGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-methyl-N-(4-methyl-2-thiazolyl)-2-[(6-phenyl-3-pyridazinyl)thio]acetamide
CAS: 1135304-61-8
CID: 25067404
Formula: C17H16N4OS2
MW: 356.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass356.07655349
Monoisotopic Mass356.07655349
Topological Polar Surface Area113 Ų
Heavy Atom Count24
Formal Charge0
Complexity419
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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