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Home > Indoles and Oxindole > 1630763-33-5
1630763-33-5 | 6-{5,11-dioxo-5H,6H,6aH,11H-isoindolo[2,1-a]quinazolin-6-yl}hexanoic acid
CAS No: 1630763-33-5 Catalog No: AG01B602 MDL No:MFCD28142492
Product Description
Catalog Number:
AG01B602
Chemical Name:
6-{5,11-dioxo-5H,6H,6aH,11H-isoindolo[2,1-a]quinazolin-6-yl}hexanoic acid
CAS Number:
1630763-33-5
Molecular Formula:
C21H20N2O4
Molecular Weight:
364.3945
MDL Number:
MFCD28142492
IUPAC Name:
6-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)hexanoic acid
InChI:
InChI=1S/C21H20N2O4/c24-18(25)12-2-1-7-13-22-19-14-8-3-4-9-15(14)21(27)23(19)17-11-6-5-10-16(17)20(22)26/h3-6,8-11,19H,1-2,7,12-13H2,(H,24,25)
InChI Key:
RSFFRROTNXKDKK-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCN1C(=O)c2ccccc2N2C1c1ccccc1C2=O
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.142g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
364.401g/mol
Monoisotopic Mass:
364.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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