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131589-60-1 | Methanone, (4-azidophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-
CAS No: 131589-60-1 Catalog No: AG000ZGI MDL No:
Product Description
Catalog Number:
AG000ZGI
Chemical Name:
Methanone, (4-azidophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl]-
CAS Number:
131589-60-1
Molecular Formula:
C21H13N3O3S
Molecular Weight:
387.4112
IUPAC Name:
(4-azidophenyl)-[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]methanone
InChI:
InChI=1S/C21H13N3O3S/c22-24-23-14-5-1-12(2-6-14)20(27)19-17-10-9-16(26)11-18(17)28-21(19)13-3-7-15(25)8-4-13/h1-11,25-26H
InChI Key:
XBMPLXNNPNMNRV-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc(cc1)C(=O)c1c(sc2c1ccc(c2)O)c1ccc(cc1)O
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.068g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
387.413g/mol
Monoisotopic Mass:
387.068g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
Literature
| Title | Journal |
|---|---|
| Estrogen inhibition of cystic fibrosis transmembrane conductance regulator-mediated chloride secretion. | The Journal of pharmacology and experimental therapeutics 20001001 |
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