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1421026-41-6 | 5-Isobenzofurancarbonitrile, 1-[3-(cyclopropylmethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-
CAS No: 1421026-41-6 Catalog No: AG001HSH MDL No:
Product Description
Catalog Number:
AG001HSH
Chemical Name:
5-Isobenzofurancarbonitrile, 1-[3-(cyclopropylmethylamino)propyl]-1-(4-fluorophenyl)-1,3-dihydro-, (1S)-
CAS Number:
1421026-41-6
Molecular Formula:
C22H23FN2O
Molecular Weight:
350.4292
IUPAC Name:
(1S)-1-[3-(cyclopropylmethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile
InChI:
InChI=1S/C22H23FN2O/c23-20-7-5-19(6-8-20)22(10-1-11-25-14-16-2-3-16)21-9-4-17(13-24)12-18(21)15-26-22/h4-9,12,16,25H,1-3,10-11,14-15H2/t22-/m0/s1
InChI Key:
IJBLWRQTURZJLZ-QFIPXVFZSA-N
SMILES:
N#Cc1ccc2c(c1)CO[C@@]2(CCCNCC1CC1)c1ccc(cc1)F
Properties
Complexity:
520
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
350.179g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
350.437g/mol
Monoisotopic Mass:
350.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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