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88735-54-0 | 3H-Naphtho[2,1-b]pyran-3-one, 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-
CAS No: 88735-54-0 Catalog No: AG0088UE MDL No:
Product Description
Catalog Number:
AG0088UE
Chemical Name:
3H-Naphtho[2,1-b]pyran-3-one, 2-[2-(3,4-dimethoxyphenyl)-4-thiazolyl]-
CAS Number:
88735-54-0
Molecular Formula:
C24H17NO4S
Molecular Weight:
415.4611
IUPAC Name:
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]benzo[f]chromen-3-one
InChI:
InChI=1S/C24H17NO4S/c1-27-21-10-8-15(11-22(21)28-2)23-25-19(13-30-23)18-12-17-16-6-4-3-5-14(16)7-9-20(17)29-24(18)26/h3-13H,1-2H3
InChI Key:
GGACXDXCLMDNTE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1OC)c1scc(n1)c1cc2c(oc1=O)ccc1c2cccc1
Properties
Complexity:
670
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.088g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.463g/mol
Monoisotopic Mass:
415.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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