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88735-50-6 | 2H-1-Benzopyran-2-one, 3-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-
CAS No: 88735-50-6 Catalog No: AG0045I4 MDL No:
Product Description
Catalog Number:
AG0045I4
Chemical Name:
2H-1-Benzopyran-2-one, 3-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-
CAS Number:
88735-50-6
Molecular Formula:
C20H15NO4S
Molecular Weight:
365.4024
IUPAC Name:
3-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]chromen-2-one
InChI:
InChI=1S/C20H15NO4S/c1-23-17-8-7-13(10-18(17)24-2)19-21-15(11-26-19)14-9-12-5-3-4-6-16(12)25-20(14)22/h3-11H,1-2H3
InChI Key:
BGGYNUVTTCMVAQ-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OC)c1scc(n1)c1cc2ccccc2oc1=O
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.072g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.403g/mol
Monoisotopic Mass:
365.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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