iCRT-14


Chemical Name: iCRT-14
CAS Number: 677331-12-3
Product Number: AG00FC01(AGN-PC-0WAG1M)
Synonyms:
MDL No:
Molecular Formula: C21H17N3O2S
Molecular Weight: 375.4436

Identification/Properties


Computed Properties
Molecular Weight:
375.446g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
3
Exact Mass:
375.104g/mol
Monoisotopic Mass:
375.104g/mol
Topological Polar Surface Area:
80.5A^2
Heavy Atom Count:
27
Formal Charge:
0
Complexity:
617
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
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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