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106690-11-3 | Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-
CAS No: 106690-11-3 Catalog No: AG008371 MDL No:
Product Description
Catalog Number:
AG008371
Chemical Name:
Benzothiazole, 2-(4-butyl-3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-
CAS Number:
106690-11-3
Molecular Formula:
C17H21N3OS
Molecular Weight:
315.4331
IUPAC Name:
2-(4-butyl-3,5-dimethylpyrazol-1-yl)-6-methoxy-1,3-benzothiazole
InChI:
InChI=1S/C17H21N3OS/c1-5-6-7-14-11(2)19-20(12(14)3)17-18-15-9-8-13(21-4)10-16(15)22-17/h8-10H,5-7H2,1-4H3
InChI Key:
HXWXPOOBQXNFFO-UHFFFAOYSA-N
SMILES:
CCCCc1c(C)nn(c1C)c1nc2c(s1)cc(cc2)OC
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.141g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.435g/mol
Monoisotopic Mass:
315.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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