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1005294-21-2 | BENZENEPROPANAMIDE, N-[1,2,3,4-TETRAHYDRO-1-(2-THIENYLCARBONYL)-7-QUINOLINYL]-
CAS No: 1005294-21-2 Catalog No: AG00029P MDL No:
Product Description
Catalog Number:
AG00029P
Chemical Name:
BENZENEPROPANAMIDE, N-[1,2,3,4-TETRAHYDRO-1-(2-THIENYLCARBONYL)-7-QUINOLINYL]-
CAS Number:
1005294-21-2
Molecular Formula:
C23H22N2O2S
Molecular Weight:
390.4980
IUPAC Name:
3-phenyl-N-[1-(thiophene-2-carbonyl)-3,4-dihydro-2H-quinolin-7-yl]propanamide
InChI:
InChI=1S/C23H22N2O2S/c26-22(13-10-17-6-2-1-3-7-17)24-19-12-11-18-8-4-14-25(20(18)16-19)23(27)21-9-5-15-28-21/h1-3,5-7,9,11-12,15-16H,4,8,10,13-14H2,(H,24,26)
InChI Key:
DUTBSCROIJQFNO-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)N(CCC2)C(=O)c1cccs1)CCc1ccccc1
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.14g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.501g/mol
Monoisotopic Mass:
390.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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