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88955-67-3 | Benzothiazole, 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-
CAS No: 88955-67-3 Catalog No: AG0046SV MDL No:
Product Description
Catalog Number:
AG0046SV
Chemical Name:
Benzothiazole, 2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-
CAS Number:
88955-67-3
Molecular Formula:
C17H13N3OS
Molecular Weight:
307.3696
IUPAC Name:
5-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl]-3-methyl-1,2,4-oxadiazole
InChI:
InChI=1S/C17H13N3OS/c1-11-18-16(21-20-11)10-12-6-8-13(9-7-12)17-19-14-4-2-3-5-15(14)22-17/h2-9H,10H2,1H3
InChI Key:
VWQRXQAPYHVPCT-UHFFFAOYSA-N
SMILES:
Cc1noc(n1)Cc1ccc(cc1)c1nc2c(s1)cccc2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.078g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.371g/mol
Monoisotopic Mass:
307.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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