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338777-89-2 | 7-chloro-N-(4-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
CAS No: 338777-89-2 Catalog No: AG00IYHQ MDL No:MFCD00138834
Product Description
Catalog Number:
AG00IYHQ
Chemical Name:
7-chloro-N-(4-methylphenyl)-3,4-dihydro-2H-1,4-benzothiazine-4-carboxamide
CAS Number:
338777-89-2
Molecular Formula:
C16H15ClN2OS
Molecular Weight:
318.8211
MDL Number:
MFCD00138834
IUPAC Name:
7-chloro-N-(4-methylphenyl)-2,3-dihydro-1,4-benzothiazine-4-carboxamide
InChI:
InChI=1S/C16H15ClN2OS/c1-11-2-5-13(6-3-11)18-16(20)19-8-9-21-15-10-12(17)4-7-14(15)19/h2-7,10H,8-9H2,1H3,(H,18,20)
InChI Key:
HEOBTIRXSJEMBJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)NC(=O)N1CCSc2c1ccc(c2)Cl
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.819g/mol
Monoisotopic Mass:
318.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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