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1369969-44-7 | 1H-Isoindole-1,3(2H)-dione, 2-[(2S)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-
CAS No: 1369969-44-7 Catalog No: AG0012NG MDL No:MFCD23104293
Product Description
Catalog Number:
AG0012NG
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(2S)-2-hydroxy-3-[[4-(3-oxo-4-morpholinyl)phenyl]amino]propyl]-
CAS Number:
1369969-44-7
Molecular Formula:
C21H21N3O5
Molecular Weight:
395.4085
MDL Number:
MFCD23104293
IUPAC Name:
2-[(2S)-2-hydroxy-3-[4-(3-oxomorpholin-4-yl)anilino]propyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H21N3O5/c25-16(12-24-20(27)17-3-1-2-4-18(17)21(24)28)11-22-14-5-7-15(8-6-14)23-9-10-29-13-19(23)26/h1-8,16,22,25H,9-13H2/t16-/m0/s1
InChI Key:
CKFVSMPWXAASIQ-INIZCTEOSA-N
SMILES:
O[C@H](CN1C(=O)c2c(C1=O)cccc2)CNc1ccc(cc1)N1CCOCC1=O
Properties
Complexity:
610
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
395.148g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.415g/mol
Monoisotopic Mass:
395.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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