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131956-42-8 | Thiazole, 2-[2,3-dihydro-1-methoxy-6-(2-naphthalenylmethoxy)-1H-inden-1-yl]-
CAS No: 131956-42-8 Catalog No: AG000ZYQ MDL No:
Product Description
Catalog Number:
AG000ZYQ
Chemical Name:
Thiazole, 2-[2,3-dihydro-1-methoxy-6-(2-naphthalenylmethoxy)-1H-inden-1-yl]-
CAS Number:
131956-42-8
Molecular Formula:
C24H21NO2S
Molecular Weight:
387.4940
IUPAC Name:
2-[1-methoxy-6-(naphthalen-2-ylmethoxy)-2,3-dihydroinden-1-yl]-1,3-thiazole
InChI:
InChI=1S/C24H21NO2S/c1-26-24(23-25-12-13-28-23)11-10-19-8-9-21(15-22(19)24)27-16-17-6-7-18-4-2-3-5-20(18)14-17/h2-9,12-15H,10-11,16H2,1H3
InChI Key:
PHWUGPWQJTXVQO-UHFFFAOYSA-N
SMILES:
COC1(CCc2c1cc(OCc1ccc3c(c1)cccc3)cc2)c1nccs1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.129g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
387.497g/mol
Monoisotopic Mass:
387.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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