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143878-20-0 | 1H-Isoindole-1,3(2H)-dione, 2-[(6,11-dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-
CAS No: 143878-20-0 Catalog No: AG001IIL MDL No:MFCD09839031
Product Description
Catalog Number:
AG001IIL
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(6,11-dihydro-5H-dibenz[b,e]azepin-6-yl)methyl]-
CAS Number:
143878-20-0
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
MDL Number:
MFCD09839031
IUPAC Name:
2-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-ylmethyl)isoindole-1,3-dione
InChI:
InChI=1S/C23H18N2O2/c26-22-18-10-4-5-11-19(18)23(27)25(22)14-21-17-9-3-1-7-15(17)13-16-8-2-6-12-20(16)24-21/h1-12,21,24H,13-14H2
InChI Key:
XXHUCKUXFLTXAG-UHFFFAOYSA-N
SMILES:
O=C1N(CC2Nc3ccccc3Cc3c2cccc3)C(=O)c2c1cccc2
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.137g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.409g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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