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905854-03-7 | 2,5-Pyrrolidinedione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-, (3S,4S)-
CAS No: 905854-03-7 Catalog No: AG00GTZ0 MDL No:MFCD11977596
Product Description
Catalog Number:
AG00GTZ0
Chemical Name:
2,5-Pyrrolidinedione, 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-, (3S,4S)-
CAS Number:
905854-03-7
Molecular Formula:
C23H19N3O2
Molecular Weight:
369.4159
MDL Number:
MFCD11977596
IUPAC Name:
(3S,4S)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C23H19N3O2/c27-22-19(16-11-24-18-9-2-1-7-14(16)18)20(23(28)25-22)17-12-26-10-4-6-13-5-3-8-15(17)21(13)26/h1-3,5,7-9,11-12,19-20,24H,4,6,10H2,(H,25,27,28)/t19-,20-/m1/s1
InChI Key:
UCEQXRCJXIVODC-WOJBJXKFSA-N
SMILES:
O=C1NC(=O)[C@@H]([C@H]1c1c[nH]c2c1cccc2)c1cn2c3c1cccc3CCC2
UNII:
E9UU0ESM69
Properties
Complexity:
666
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
369.148g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
369.424g/mol
Monoisotopic Mass:
369.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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