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920506-41-8 | 2-Thiophenecarboxamide, N-[2-(2-benzothiazolyl)ethyl]-3-iodo-
CAS No: 920506-41-8 Catalog No: AG00617L MDL No:
Product Description
Catalog Number:
AG00617L
Chemical Name:
2-Thiophenecarboxamide, N-[2-(2-benzothiazolyl)ethyl]-3-iodo-
CAS Number:
920506-41-8
Molecular Formula:
C14H11IN2OS2
Molecular Weight:
414.2844
IUPAC Name:
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-iodothiophene-2-carboxamide
InChI:
InChI=1S/C14H11IN2OS2/c15-9-6-8-19-13(9)14(18)16-7-5-12-17-10-3-1-2-4-11(10)20-12/h1-4,6,8H,5,7H2,(H,16,18)
InChI Key:
CVRZVLNNOSVGKR-UHFFFAOYSA-N
SMILES:
O=C(c1sccc1I)NCCc1nc2c(s1)cccc2
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.936g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.279g/mol
Monoisotopic Mass:
413.936g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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