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129667-10-3 | Methanone, [1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]-1-naphthalenyl-
CAS No: 129667-10-3 Catalog No: AG000TL6 MDL No:
Product Description
Catalog Number:
AG000TL6
Chemical Name:
Methanone, [1-[(4-methylphenyl)sulfonyl]-1H-pyrrol-3-yl]-1-naphthalenyl-
CAS Number:
129667-10-3
Molecular Formula:
C22H17NO3S
Molecular Weight:
375.4403
IUPAC Name:
[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-naphthalen-1-ylmethanone
InChI:
InChI=1S/C22H17NO3S/c1-16-9-11-19(12-10-16)27(25,26)23-14-13-18(15-23)22(24)21-8-4-6-17-5-2-3-7-20(17)21/h2-15H,1H3
InChI Key:
GIFKSZBCBSWUID-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc(c1)C(=O)c1cccc2c1cccc2
Properties
Complexity:
632
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.093g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.442g/mol
Monoisotopic Mass:
375.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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