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Chemical ID: 5763433
Chemical ID:
5763433
Name [?]:
3,5-dibenzylidene-1-isopropyl-piperidin-4-one
SMILES [?]:
CC(C)N1CC(=Cc2ccccc2)C(=O)C(=Cc3ccccc3)C1
InChi [?]:
InChI=1/C22H23NO/c1-17(2)23-15-20(13-18-9-5-3-6-10-18)22(24)21(16-23)14-19-11-7-4-8-12-19/h3-14,17H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,11,21,10,12,20,22,9,13,19,23,7,17,5,24,2,8,18,6,16,14,4,15/E:(1,2)(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(18,19)(20,21)/rA:24nCCCNCCCCCCCCCCOCCCCCCCCC/rB:s1;s2;s2;s4;s5;w6;s7;s8;d9;s10;d11;d8s12;s6;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s4s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H23NO |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5094 |
Area: | 524.532 |
Solvation: | -2.6039 |
Coulombic: | -17.4856 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 2 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 317.424 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.28 |
LogP (Chemaxon): | 4.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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