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Home > Indoles and Oxindole > 153804-48-9
153804-48-9 | 1H-Isoindole-1,3(2H)-dione,2-[4-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]butyl]-
CAS No: 153804-48-9 Catalog No: AG007HIJ MDL No:
Product Description
Catalog Number:
AG007HIJ
Chemical Name:
1H-Isoindole-1,3(2H)-dione,2-[4-[(3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy]butyl]-
CAS Number:
153804-48-9
Molecular Formula:
C21H21NO3S
Molecular Weight:
367.4613
IUPAC Name:
2-[4-(3,4-dihydro-2H-thiochromen-8-yloxy)butyl]isoindole-1,3-dione
InChI:
InChI=1S/C21H21NO3S/c23-20-16-9-1-2-10-17(16)21(24)22(20)12-3-4-13-25-18-11-5-7-15-8-6-14-26-19(15)18/h1-2,5,7,9-11H,3-4,6,8,12-14H2
InChI Key:
QILQLILPMLTWGQ-UHFFFAOYSA-N
SMILES:
O=C1N(CCCCOc2cccc3c2SCCC3)C(=O)c2c1cccc2
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.124g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.463g/mol
Monoisotopic Mass:
367.124g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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