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74484-68-7 | CIS-2-((4-(2,6-DIMETHYL-PIPERIDIN-1-YL)-2-BUTYNYL)OXY)-1H-ISOINDOLE-1,3(2H)-DIONE
CAS No: 74484-68-7 Catalog No: AG005AY6 MDL No:
Product Description
Catalog Number:
AG005AY6
Chemical Name:
CIS-2-((4-(2,6-DIMETHYL-PIPERIDIN-1-YL)-2-BUTYNYL)OXY)-1H-ISOINDOLE-1,3(2H)-DIONE
CAS Number:
74484-68-7
Molecular Formula:
C19H22N2O3
Molecular Weight:
326.3896
IUPAC Name:
2-[4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]but-2-ynoxy]isoindole-1,3-dione
InChI:
InChI=1S/C19H22N2O3/c1-14-8-7-9-15(2)20(14)12-5-6-13-24-21-18(22)16-10-3-4-11-17(16)19(21)23/h3-4,10-11,14-15H,7-9,12-13H2,1-2H3/t14-,15+
InChI Key:
PBTSDRVQDNSVRY-GASCZTMLSA-N
SMILES:
C[C@@H]1CCC[C@@H](N1CC#CCON1C(=O)c2c(C1=O)cccc2)C
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
326.163g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.396g/mol
Monoisotopic Mass:
326.163g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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