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155877-54-6 | Phenol, 3,3'-(1,3,4-thiadiazole-2,5-diyl)bis-
CAS No: 155877-54-6 Catalog No: AG001OAR MDL No:
Product Description
Catalog Number:
AG001OAR
Chemical Name:
Phenol, 3,3'-(1,3,4-thiadiazole-2,5-diyl)bis-
CAS Number:
155877-54-6
Molecular Formula:
C14H10N2O2S
Molecular Weight:
270.3064
IUPAC Name:
3-[5-(3-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]phenol
InChI:
InChI=1S/C14H10N2O2S/c17-11-5-1-3-9(7-11)13-15-16-14(19-13)10-4-2-6-12(18)8-10/h1-8,17-18H
InChI Key:
KZZBPNSRBQBVII-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1nnc(s1)c1cccc(c1)O
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.046g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
270.306g/mol
Monoisotopic Mass:
270.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Design, synthesis, biological evaluation and pharmacokinetics of bis(hydroxyphenyl) substituted azoles, thiophenes, benzenes, and aza-benzenes as potent and selective nonsteroidal inhibitors of 17beta-hydroxysteroid dehydrogenase type 1 (17beta-HSD1). | Journal of medicinal chemistry 20081113 |
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