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Home > Indoles and Oxindole > 138937-83-4
138937-83-4 | Pyrimido[2,1-a]isoindol-6(2H)-one, 1-benzoyl-1,3,4,10b-tetrahydro-
CAS No: 138937-83-4 Catalog No: AG006Z59 MDL No:
Product Description
Catalog Number:
AG006Z59
Chemical Name:
Pyrimido[2,1-a]isoindol-6(2H)-one, 1-benzoyl-1,3,4,10b-tetrahydro-
CAS Number:
138937-83-4
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
1-benzoyl-2,3,4,10b-tetrahydropyrimido[1,2-b]isoindol-6-one
InChI:
InChI=1S/C18H16N2O2/c21-17(13-7-2-1-3-8-13)19-11-6-12-20-16(19)14-9-4-5-10-15(14)18(20)22/h1-5,7-10,16H,6,11-12H2
InChI Key:
AFTAUQWLYDXGKO-UHFFFAOYSA-N
SMILES:
O=C(N1CCCN2C1c1ccccc1C2=O)c1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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