2-(2-CHLORO-PHENYL)-2-METHYLAMINO-6-THIOPHEN-2-YLMETHYLENE-CYCLOHEXANONE


Chemical Name: 2-(2-CHLORO-PHENYL)-2-METHYLAMINO-6-THIOPHEN-2-YLMETHYLENE-CYCLOHEXANONE
CAS Number: 380343-37-3
Product Number: AG00C6MV(AGN-00C6HB)
Synonyms:
MDL No:
Molecular Formula: C18H18ClNOS
Molecular Weight: 331.8596

Identification/Properties


Computed Properties
Molecular Weight:
331.858g/mol
XLogP3:
4.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
331.08g/mol
Monoisotopic Mass:
331.08g/mol
Topological Polar Surface Area:
57.3A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
452
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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