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85409-71-8 | 1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-5-[[2-[3-[2-(PHENYLMETHOXY)ETHYL]-1,2,4-OXADIAZOL-5-YL]PHENYL]AZO]NICOTINONITRILE
CAS No: 85409-71-8 Catalog No: AG004K9S MDL No:
Product Description
Catalog Number:
AG004K9S
Chemical Name:
1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-5-[[2-[3-[2-(PHENYLMETHOXY)ETHYL]-1,2,4-OXADIAZOL-5-YL]PHENYL]AZO]NICOTINONITRILE
CAS Number:
85409-71-8
Molecular Formula:
C24H20N6O4
Molecular Weight:
456.4534
IUPAC Name:
2-hydroxy-4-methyl-6-oxo-5-[[2-[3-(2-phenylmethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]diazenyl]-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C24H20N6O4/c1-15-18(13-25)22(31)27-23(32)21(15)29-28-19-10-6-5-9-17(19)24-26-20(30-34-24)11-12-33-14-16-7-3-2-4-8-16/h2-10H,11-12,14H2,1H3,(H2,27,31,32)
InChI Key:
PYHOAIJLCCSEKN-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(c(c1C)N=Nc1ccccc1c1onc(n1)CCOCc1ccccc1)O
EC Number:
287-141-3
Properties
Complexity:
885
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.155g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
456.462g/mol
Monoisotopic Mass:
456.155g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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