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88515-23-5 | 2-Propenoic acid, 3-phenyl-, 2-(aminosulfonyl)-5-benzothiazolyl ester
CAS No: 88515-23-5 Catalog No: AG0048JU MDL No:
Product Description
Catalog Number:
AG0048JU
Chemical Name:
2-Propenoic acid, 3-phenyl-, 2-(aminosulfonyl)-5-benzothiazolyl ester
CAS Number:
88515-23-5
Molecular Formula:
C16H12N2O4S2
Molecular Weight:
360.4075
IUPAC Name:
(2-sulfamoyl-1,3-benzothiazol-5-yl) 3-phenylprop-2-enoate
InChI:
InChI=1S/C16H12N2O4S2/c17-24(20,21)16-18-13-10-12(7-8-14(13)23-16)22-15(19)9-6-11-4-2-1-3-5-11/h1-10H,(H2,17,20,21)
InChI Key:
WMNAHYKJLQRNHS-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc2c(c1)nc(s2)S(=O)(=O)N)C=Cc1ccccc1
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.024g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.402g/mol
Monoisotopic Mass:
360.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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