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Home > Pyridines > 119190-81-7
119190-81-7 | Pyridine, 2-[4-[1-(5-ethoxy-1,3,4-thiadiazol-2-yl)ethoxy]phenoxy]-
CAS No: 119190-81-7 Catalog No: AG000IBB MDL No:
Product Description
Catalog Number:
AG000IBB
Chemical Name:
Pyridine, 2-[4-[1-(5-ethoxy-1,3,4-thiadiazol-2-yl)ethoxy]phenoxy]-
CAS Number:
119190-81-7
Molecular Formula:
C17H17N3O3S
Molecular Weight:
343.4002
IUPAC Name:
2-ethoxy-5-[1-(4-pyridin-2-yloxyphenoxy)ethyl]-1,3,4-thiadiazole
InChI:
InChI=1S/C17H17N3O3S/c1-3-21-17-20-19-16(24-17)12(2)22-13-7-9-14(10-8-13)23-15-6-4-5-11-18-15/h4-12H,3H2,1-2H3
InChI Key:
PJSYNQSLLUDUJW-UHFFFAOYSA-N
SMILES:
CCOc1nnc(s1)C(Oc1ccc(cc1)Oc1ccccn1)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.099g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.401g/mol
Monoisotopic Mass:
343.099g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
94.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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