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101001-71-2 | 4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-2-yl)thiazole
CAS No: 101001-71-2 Catalog No: AG01DFT8 MDL No:MFCD01760272
Product Description
Catalog Number:
AG01DFT8
Chemical Name:
4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-2-yl)thiazole
CAS Number:
101001-71-2
Molecular Formula:
C21H18N2O2S
Molecular Weight:
362.4448
MDL Number:
MFCD01760272
IUPAC Name:
4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-2-yl)-1,3-thiazole
InChI:
InChI=1S/C21H18N2O2S/c1-24-16-9-5-14(6-10-16)19-20(15-7-11-17(25-2)12-8-15)26-21(23-19)18-4-3-13-22-18/h3-13,22H,1-2H3
InChI Key:
DYASQUCCIHXBLN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1sc(nc1c1ccc(cc1)OC)c1ccc[nH]1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.109g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
362.447g/mol
Monoisotopic Mass:
362.109g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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