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88048-34-4 | 5H-1,3-Dioxolo[4,5-f]indole, 7-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-
CAS No: 88048-34-4 Catalog No: AG004FPD MDL No:
Product Description
Catalog Number:
AG004FPD
Chemical Name:
5H-1,3-Dioxolo[4,5-f]indole, 7-[2-[4-(4-fluorophenyl)-1-piperazinyl]ethyl]-
CAS Number:
88048-34-4
Molecular Formula:
C21H22FN3O2
Molecular Weight:
367.4167
IUPAC Name:
7-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5H-[1,3]dioxolo[4,5-f]indole
InChI:
InChI=1S/C21H22FN3O2/c22-16-1-3-17(4-2-16)25-9-7-24(8-10-25)6-5-15-13-23-19-12-21-20(11-18(15)19)26-14-27-21/h1-4,11-13,23H,5-10,14H2
InChI Key:
ZHOMMYSMUMQXCW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)N1CCN(CC1)CCc1c[nH]c2c1cc1OCOc1c2
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.17g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
367.424g/mol
Monoisotopic Mass:
367.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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