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88317-55-9 | Ethanamine, N,N-dimethyl-2-[[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]-
CAS No: 88317-55-9 Catalog No: AG0048GZ MDL No:
Product Description
Catalog Number:
AG0048GZ
Chemical Name:
Ethanamine, N,N-dimethyl-2-[[5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl]thio]-
CAS Number:
88317-55-9
Molecular Formula:
C11H14N4OS
Molecular Weight:
250.3201
IUPAC Name:
N,N-dimethyl-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanamine
InChI:
InChI=1S/C11H14N4OS/c1-15(2)7-8-17-11-14-13-10(16-11)9-3-5-12-6-4-9/h3-6H,7-8H2,1-2H3
InChI Key:
BDCBVKOCKLTBNB-UHFFFAOYSA-N
SMILES:
CN(CCSc1nnc(o1)c1ccncc1)C
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.089g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.32g/mol
Monoisotopic Mass:
250.089g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
80.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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