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93893-63-1 | 3-[(5-CYANO-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-PYRIDIN-3-YL)AZO]-4-HYDROXY-N-[3-(1-METHYLETHOXY)PROPYL]BENZENESULFONAMIDE
CAS No: 93893-63-1 Catalog No: AG00H883 MDL No:
Product Description
Catalog Number:
AG00H883
Chemical Name:
3-[(5-CYANO-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXO-PYRIDIN-3-YL)AZO]-4-HYDROXY-N-[3-(1-METHYLETHOXY)PROPYL]BENZENESULFONAMIDE
CAS Number:
93893-63-1
Molecular Formula:
C19H23N5O6S
Molecular Weight:
449.4808
IUPAC Name:
3-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-4-hydroxy-N-(3-propan-2-yloxypropyl)benzenesulfonamide
InChI:
InChI=1S/C19H23N5O6S/c1-11(2)30-8-4-7-21-31(28,29)13-5-6-16(25)15(9-13)23-24-17-12(3)14(10-20)18(26)22-19(17)27/h5-6,9,11,21,25H,4,7-8H2,1-3H3,(H2,22,26,27)
InChI Key:
MDVINIAHOVREQE-UHFFFAOYSA-N
SMILES:
N#Cc1c(O)[nH]c(=O)c(c1C)N=Nc1cc(ccc1O)S(=O)(=O)NCCCOC(C)C
EC Number:
299-653-4
Properties
Complexity:
925
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.137g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
449.482g/mol
Monoisotopic Mass:
449.137g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
182A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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