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85750-19-2 | 2-Naphthalenecarboxamide,3-hydroxy-4-[2-[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulfonyl]phenyl]diazenyl]-N-(2-methoxyphenyl)-
CAS No: 85750-19-2 Catalog No: AG004OW1 MDL No:
Product Description
Catalog Number:
AG004OW1
Chemical Name:
2-Naphthalenecarboxamide,3-hydroxy-4-[2-[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulfonyl]phenyl]diazenyl]-N-(2-methoxyphenyl)-
CAS Number:
85750-19-2
Molecular Formula:
C30H29N3O8S
Molecular Weight:
591.6316
IUPAC Name:
2-[3-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]naphthalen-1-yl]diazenyl]-4-methoxyphenyl]sulfonylethyl propanoate
InChI:
InChI=1S/C30H29N3O8S/c1-4-27(34)41-15-16-42(37,38)20-13-14-26(40-3)24(18-20)32-33-28-21-10-6-5-9-19(21)17-22(29(28)35)30(36)31-23-11-7-8-12-25(23)39-2/h5-14,17-18,35H,4,15-16H2,1-3H3,(H,31,36)
InChI Key:
UKPVMFRQHJLLPY-UHFFFAOYSA-N
SMILES:
CCC(=O)OCCS(=O)(=O)c1ccc(c(c1)N=Nc1c(O)c(cc2c1cccc2)C(=O)Nc1ccccc1OC)OC
EC Number:
288-545-2
Properties
Complexity:
1030
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
591.168g/mol
Formal Charge:
0
Heavy Atom Count:
42
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
591.635g/mol
Monoisotopic Mass:
591.168g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
161A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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