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865202-91-1 | 1H-ISOINDOLE-1,3(2H)-DIONE, 2-[4-[[(8S)-5,6,7,8-TETRAHYDRO-8-QUINOLINYL]IMINO]BUTYL]-
CAS No: 865202-91-1 Catalog No: AG004V7J MDL No:
Product Description
Catalog Number:
AG004V7J
Chemical Name:
1H-ISOINDOLE-1,3(2H)-DIONE, 2-[4-[[(8S)-5,6,7,8-TETRAHYDRO-8-QUINOLINYL]IMINO]BUTYL]-
CAS Number:
865202-91-1
Molecular Formula:
C21H21N3O2
Molecular Weight:
347.4103
IUPAC Name:
2-[4-[[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]imino]butyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H21N3O2/c25-20-16-9-1-2-10-17(16)21(26)24(20)14-4-3-12-22-18-11-5-7-15-8-6-13-23-19(15)18/h1-2,6,8-10,12-13,18H,3-5,7,11,14H2/t18-/m0/s1
InChI Key:
WMTQTRDUKYQGLR-SFHVURJKSA-N
SMILES:
O=C1N(CCCC=N[C@H]2CCCc3c2nccc3)C(=O)c2c1cccc2
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
347.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
347.418g/mol
Monoisotopic Mass:
347.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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