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17173-09-0 | Benzenesulfonamide,N-[6-(di-4-morpholinylmethylene)-2,4-cyclohexadien-1-ylidene]-
CAS No: 17173-09-0 Catalog No: AG007WMN MDL No:
Product Description
Catalog Number:
AG007WMN
Chemical Name:
Benzenesulfonamide,N-[6-(di-4-morpholinylmethylene)-2,4-cyclohexadien-1-ylidene]-
CAS Number:
17173-09-0
Molecular Formula:
C21H25N3O4S
Molecular Weight:
415.5059
IUPAC Name:
N-[6-(dimorpholin-4-ylmethylidene)cyclohexa-2,4-dien-1-ylidene]benzenesulfonamide
InChI:
InChI=1S/C21H25N3O4S/c25-29(26,18-6-2-1-3-7-18)22-20-9-5-4-8-19(20)21(23-10-14-27-15-11-23)24-12-16-28-17-13-24/h1-9H,10-17H2
InChI Key:
PLKYKGDYPDCPKY-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)/N=C/1\C=CC=CC1=C(N1CCOCC1)N1CCOCC1
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.157g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
415.508g/mol
Monoisotopic Mass:
415.157g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.4
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