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ASN 03572106,Cyclohexanecarboxylic acid methyl-(4-phenyl-thiazol-2-yl)

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摘 要:ASN 03572106,Cyclohexanecarboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide, N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide,Canonical SMILES: CN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3CCCCC3,InChI: InChI=1/C17H20N2OS/c1-19(16(20)14-10-6-3-7-11-
[Synonyms]
ASN 03572106
Cyclohexanecarboxylic acid methyl-(4-phenyl-thiazol-2-yl)-amide

[Structure]
ASN 03572106,Cyclohexanecarboxylic acid methyl-(4-phenyl-thiazol-2-yl)

[ Properties Computed from Structure]
Molecular Weight300.4185 [g/mol]
Molecular FormulaC17H20N2OS
XLogP4.2
H-Bond Donor0
H-Bond Acceptor2
Rotatable Bond Count3
Exact Mass300.129634
MonoIsotopic Mass300.129634
Topological Polar Surface Area33.2
Heavy Atom Count21
Formal Charge0
Complexity351
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-methyl-N-(4-phenyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
Canonical SMILES: CN(C1=NC(=CS1)C2=CC=CC=C2)C(=O)C3CCCCC3
InChI: InChI=1/C17H20N2OS/c1-19(16(20)14-10-6-3-7-11-14)17-18-15(12-21-17)13-8-
4-2-5-9-13/h2,4-5,8-9,12,14H,3,6-7,10-11H2,1H3

 
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