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1005294-19-8 | BENZAMIDE, 3,5-DIMETHOXY-N-[1,2,3,4-TETRAHYDRO-1-(2-THIENYLCARBONYL)-7-QUINOLINYL]-
CAS No: 1005294-19-8 Catalog No: AG00029Q MDL No:
Product Description
Catalog Number:
AG00029Q
Chemical Name:
BENZAMIDE, 3,5-DIMETHOXY-N-[1,2,3,4-TETRAHYDRO-1-(2-THIENYLCARBONYL)-7-QUINOLINYL]-
CAS Number:
1005294-19-8
Molecular Formula:
C23H22N2O4S
Molecular Weight:
422.4968
IUPAC Name:
3,5-dimethoxy-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
InChI:
InChI=1S/C23H22N2O4S/c1-28-18-11-16(12-19(14-18)29-2)22(26)24-17-8-7-15-5-3-9-25(20(15)13-17)23(27)21-6-4-10-30-21/h4,6-8,10-14H,3,5,9H2,1-2H3,(H,24,26)
InChI Key:
WGZULAPSYRUUJD-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc(c1)C(=O)Nc1ccc2c(c1)N(CCC2)C(=O)c1cccs1
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
422.13g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
422.499g/mol
Monoisotopic Mass:
422.13g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
96.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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