Chemical ID: 5763433

CC(C)N1CC(=Cc2ccccc2)C(=O)C(=Cc3ccccc3)C1
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

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