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121611-06-1 | 2-Propenamide, N,N'-isothiazolo[5,4-d]isothiazole-3,6-diylbis[3-phenyl- (9CI)
CAS No: 121611-06-1 Catalog No: AG0015EO MDL No:
Product Description
Catalog Number:
AG0015EO
Chemical Name:
2-Propenamide, N,N'-isothiazolo[5,4-d]isothiazole-3,6-diylbis[3-phenyl- (9CI)
CAS Number:
121611-06-1
Molecular Formula:
C22H16N4O2S2
Molecular Weight:
432.5180
IUPAC Name:
3-phenyl-N-[6-(3-phenylprop-2-enoylamino)-[1,2]thiazolo[5,4-d][1,2]thiazol-3-yl]prop-2-enamide
InChI:
InChI=1S/C22H16N4O2S2/c27-17(13-11-15-7-3-1-4-8-15)23-21-19-20(30-25-21)22(26-29-19)24-18(28)14-12-16-9-5-2-6-10-16/h1-14H,(H,23,25,27)(H,24,26,28)
InChI Key:
CKVUUQVLVYSIRV-UHFFFAOYSA-N
SMILES:
O=C(Nc1nsc2c1snc2NC(=O)C=Cc1ccccc1)C=Cc1ccccc1
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
432.071g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
432.516g/mol
Monoisotopic Mass:
432.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.7
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