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Home > Pyridines > 114149-42-7
114149-42-7 | Benzenesulfonamide, N-[2,3-dihydro-5-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)-1H-inden-2-yl]-4-methoxy-
CAS No: 114149-42-7 Catalog No: AG000AOH MDL No:
Product Description
Catalog Number:
AG000AOH
Chemical Name:
Benzenesulfonamide, N-[2,3-dihydro-5-(1,4,5,6-tetrahydro-6-oxo-3-pyridazinyl)-1H-inden-2-yl]-4-methoxy-
CAS Number:
114149-42-7
Molecular Formula:
C20H21N3O4S
Molecular Weight:
399.4634
IUPAC Name:
4-methoxy-N-[5-(6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
InChI:
InChI=1S/C20H21N3O4S/c1-27-17-4-6-18(7-5-17)28(25,26)23-16-11-13-2-3-14(10-15(13)12-16)19-8-9-20(24)22-21-19/h2-7,10,16,23H,8-9,11-12H2,1H3,(H,22,24)
InChI Key:
BSXFYFMTUPKQIQ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)S(=O)(=O)NC1Cc2c(C1)ccc(c2)C1=NNC(=O)CC1
Properties
Complexity:
710
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.125g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
399.465g/mol
Monoisotopic Mass:
399.125g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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