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259252-11-4 | Benzenamine, 2-[[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]thio]-
CAS No: 259252-11-4 Catalog No: AG002R38 MDL No:MFCD00662450
Product Description
Catalog Number:
AG002R38
Chemical Name:
Benzenamine, 2-[[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]thio]-
CAS Number:
259252-11-4
Molecular Formula:
C16H15N3O2S
Molecular Weight:
313.3742
MDL Number:
MFCD00662450
IUPAC Name:
2-[[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]aniline
InChI:
InChI=1S/C16H15N3O2S/c1-20-13-8-4-2-6-11(13)16-18-15(19-21-16)10-22-14-9-5-3-7-12(14)17/h2-9H,10,17H2,1H3
InChI Key:
CQHWKYVTLFMQFL-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1onc(n1)CSc1ccccc1N
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.375g/mol
Monoisotopic Mass:
313.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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