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136507-02-3 | Phenol, 2-[4-(2-benzothiazolyl)-1H-pyrazol-3-yl]-5-methoxy-4-propyl-
CAS No: 136507-02-3 Catalog No: AG0011XM MDL No:
Product Description
Catalog Number:
AG0011XM
Chemical Name:
Phenol, 2-[4-(2-benzothiazolyl)-1H-pyrazol-3-yl]-5-methoxy-4-propyl-
CAS Number:
136507-02-3
Molecular Formula:
C20H19N3O2S
Molecular Weight:
365.4488
IUPAC Name:
2-[4-(1,3-benzothiazol-2-yl)-1H-pyrazol-5-yl]-5-methoxy-4-propylphenol
InChI:
InChI=1S/C20H19N3O2S/c1-3-6-12-9-13(16(24)10-17(12)25-2)19-14(11-21-23-19)20-22-15-7-4-5-8-18(15)26-20/h4-5,7-11,24H,3,6H2,1-2H3,(H,21,23)
InChI Key:
YMZWNHMMZJDPGR-UHFFFAOYSA-N
SMILES:
CCCc1cc(c(cc1OC)O)c1n[nH]cc1c1nc2c(s1)cccc2
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.12g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
365.451g/mol
Monoisotopic Mass:
365.12g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
99.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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