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478079-14-0 | (2E)-3-(2H-1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CAS No: 478079-14-0 Catalog No: AG00IVNW MDL No:MFCD02570850
Product Description
Catalog Number:
AG00IVNW
Chemical Name:
(2E)-3-(2H-1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
CAS Number:
478079-14-0
Molecular Formula:
C20H15NO3S
Molecular Weight:
349.4030
MDL Number:
MFCD02570850
IUPAC Name:
(E)-3-(1,3-benzodioxol-5-yl)-1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)prop-2-en-1-one
InChI:
InChI=1S/C20H15NO3S/c1-13-19(25-20(21-13)15-5-3-2-4-6-15)16(22)9-7-14-8-10-17-18(11-14)24-12-23-17/h2-11H,12H2,1H3/b9-7+
InChI Key:
JFIJCJBOZUOJBF-VQHVLOKHSA-N
SMILES:
O=C(c1sc(nc1C)c1ccccc1)/C=C/c1ccc2c(c1)OCO2
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
349.077g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.404g/mol
Monoisotopic Mass:
349.077g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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