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104208-23-3 | Benzamide, N-[2-(2-propenylthio)-6-benzothiazolyl]-
CAS No: 104208-23-3 Catalog No: AG007YEA MDL No:
Product Description
Catalog Number:
AG007YEA
Chemical Name:
Benzamide, N-[2-(2-propenylthio)-6-benzothiazolyl]-
CAS Number:
104208-23-3
Molecular Formula:
C17H14N2OS2
Molecular Weight:
326.4359
IUPAC Name:
N-(2-prop-2-enylsulfanyl-1,3-benzothiazol-6-yl)benzamide
InChI:
InChI=1S/C17H14N2OS2/c1-2-10-21-17-19-14-9-8-13(11-15(14)22-17)18-16(20)12-6-4-3-5-7-12/h2-9,11H,1,10H2,(H,18,20)
InChI Key:
FBFZVJVNLHMKFH-UHFFFAOYSA-N
SMILES:
C=CCSc1nc2c(s1)cc(cc2)NC(=O)c1ccccc1
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.055g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.432g/mol
Monoisotopic Mass:
326.055g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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