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88946-18-3 | Acetamide, N-[(6-ethoxy-2-benzothiazolyl)sulfonyl]-
CAS No: 88946-18-3 Catalog No: AG00487M MDL No:
Product Description
Catalog Number:
AG00487M
Chemical Name:
Acetamide, N-[(6-ethoxy-2-benzothiazolyl)sulfonyl]-
CAS Number:
88946-18-3
Molecular Formula:
C11H12N2O4S2
Molecular Weight:
300.3540
IUPAC Name:
N-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfonyl]acetamide
InChI:
InChI=1S/C11H12N2O4S2/c1-3-17-8-4-5-9-10(6-8)18-11(12-9)19(15,16)13-7(2)14/h4-6H,3H2,1-2H3,(H,13,14)
InChI Key:
HQCCAEGBXRTUNK-UHFFFAOYSA-N
SMILES:
CCOc1ccc2c(c1)sc(n2)S(=O)(=O)NC(=O)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.347g/mol
Monoisotopic Mass:
300.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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