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491577-61-8 | (Z)-N'-hydroxy-4-((5-(4-(5-isopropyl-2-methylthiazol-4-yl)phenoxy)pentyl)oxy)benzimidamide
CAS No: 491577-61-8 Catalog No: AG01DGLN MDL No:
Product Description
Catalog Number:
AG01DGLN
Chemical Name:
(Z)-N'-hydroxy-4-((5-(4-(5-isopropyl-2-methylthiazol-4-yl)phenoxy)pentyl)oxy)benzimidamide
CAS Number:
491577-61-8
Molecular Formula:
C25H31N3O3S
Molecular Weight:
453.5969
IUPAC Name:
N'-hydroxy-4-[5-[4-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide
InChI:
InChI=1S/C25H31N3O3S/c1-17(2)24-23(27-18(3)32-24)19-7-11-21(12-8-19)30-15-5-4-6-16-31-22-13-9-20(10-14-22)25(26)28-29/h7-14,17,29H,4-6,15-16H2,1-3H3,(H2,26,28)
InChI Key:
JDXVNCOKDAGOAM-UHFFFAOYSA-N
SMILES:
O/N=C(/c1ccc(cc1)OCCCCCOc1ccc(cc1)c1nc(sc1C(C)C)C)\N
UNII:
1CD2Z2GGYN
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
453.209g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
453.601g/mol
Monoisotopic Mass:
453.209g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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