N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide


Chemical Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)naphthalene-1-carboxamide
CAS Number: 312917-14-9
Product Number: AG00C0XD(AGN-PC-0JW4E0)
Synonyms:
MDL No: MFCD01005305
Molecular Formula: C20H16N2OS
Molecular Weight: 332.4188

Identification/Properties


Properties
MP:
88-90ºC
BP:
486.8°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
332.421g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
332.098g/mol
Monoisotopic Mass:
332.098g/mol
Topological Polar Surface Area:
81.1A^2
Heavy Atom Count:
24
Formal Charge:
0
Complexity:
527
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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