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Home > Indoles and Oxindole > 121161-67-9
121161-67-9 | 1H-Isoindole-1,3(2H)-dione, 2-[2-(2-benzoxazolylthio)ethyl]-
CAS No: 121161-67-9 Catalog No: AG0073ZC MDL No:
Product Description
Catalog Number:
AG0073ZC
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[2-(2-benzoxazolylthio)ethyl]-
CAS Number:
121161-67-9
Molecular Formula:
C17H12N2O3S
Molecular Weight:
324.3538
IUPAC Name:
2-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]isoindole-1,3-dione
InChI:
InChI=1S/C17H12N2O3S/c20-15-11-5-1-2-6-12(11)16(21)19(15)9-10-23-17-18-13-7-3-4-8-14(13)22-17/h1-8H,9-10H2
InChI Key:
FGBGDFWRMPDSIB-UHFFFAOYSA-N
SMILES:
O=C1N(CCSc2nc3c(o2)cccc3)C(=O)c2c1cccc2
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.057g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.354g/mol
Monoisotopic Mass:
324.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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