2H-2-Benzazepine-2-carbothioamide,N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-


Chemical Name: 2H-2-Benzazepine-2-carbothioamide,N-[2-(4-chlorophenyl)ethyl]-1,3,4,5-tetrahydro-7,8-dihydroxy-
CAS Number: 138977-28-3
Product Number: AG0019YW(AGN-PC-0PNLXY)
Synonyms:
MDL No:
Molecular Formula: C19H21ClN2O2S
Molecular Weight: 376.9002

Identification/Properties


Computed Properties
Molecular Weight:
376.899g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
376.101g/mol
Monoisotopic Mass:
376.101g/mol
Topological Polar Surface Area:
87.8A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
445
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


PNMR/Capsazepine-138977-28-3-HNMR.pdf

Other Analytical Data


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