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3122-01-8 | Thiazesim
CAS No: 3122-01-8 Catalog No: AG00BGBK MDL No:
Product Description
Catalog Number:
AG00BGBK
Chemical Name:
Thiazesim
CAS Number:
3122-01-8
IUPAC Name:
5-[2-(dimethylamino)ethyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4-one;hydrochloride
InChI:
InChI=1S/C19H22N2OS.ClH/c1-20(2)12-13-21-16-10-6-7-11-17(16)23-18(14-19(21)22)15-8-4-3-5-9-15;/h3-11,18H,12-14H2,1-2H3;1H
InChI Key:
IUZXQGCIJLIGLS-UHFFFAOYSA-N
NSC Number:
169509
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.916g/mol
Monoisotopic Mass:
362.122g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
48.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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