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940493-22-1 | 4-[4-(1-Azepanylcarbonyl)anilino]-4-oxobutanoicacid
CAS No: 940493-22-1 Catalog No: AG01FOCP MDL No:
Product Description
Catalog Number:
AG01FOCP
Chemical Name:
4-[4-(1-Azepanylcarbonyl)anilino]-4-oxobutanoicacid
CAS Number:
940493-22-1
IUPAC Name:
4-[4-(azepane-1-carbonyl)anilino]-4-oxobutanoic acid
InChI:
InChI=1S/C17H22N2O4/c20-15(9-10-16(21)22)18-14-7-5-13(6-8-14)17(23)19-11-3-1-2-4-12-19/h5-8H,1-4,9-12H2,(H,18,20)(H,21,22)
InChI Key:
FXKACQCZAPIQQH-UHFFFAOYSA-N
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.158g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
318.373g/mol
Monoisotopic Mass:
318.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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