Chemical ID: 4937220

COc1ccc(cc1)C=C2CN(CC(=Cc3ccc(cc3)OC)C2=O)C(=O)C=C
Chemical ID:
4937220
Name [?]:
3,5-bis[(4-methoxyphenyl)methylene]-1-prop-2-enoyl-piperidin-4-one
SMILES [?]:
COc1ccc(cc1)C=C2CN(CC(=Cc3ccc(cc3)OC)C2=O)C(=O)C=C
InChi [?]:
InChI=1/C24H23NO4/c1-4-23(26)25-15-19(13-17-5-9-21(28-2)10-6-17)24(27)20(16-25)14-18-7-11-22(29-3)12-8-18/h4-14H,1,15-16H2,2-3H3
InChi Info:
AuxInfo=1/0/N:29,1,23,28,5,7,17,21,4,8,18,20,9,15,11,13,6,16,10,14,3,19,26,24,12,27,25,2,22/E:(2,3)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(28,29)/rA:29nCOCCCCCCCCCNCCCCCCCCCOCCOCOCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;s12;s13;w14;s15;s16;d17;s18;d19;d16s20;s19;s22;s10s14;d24;s12;d26;s26;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23NO4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.57825
Area:619.148
Solvation:-5.90046
Coulombic:-42.1921
Bond Count [?]
All:31
Single:20
Double:11
Rotors:6
Chiral:2
Rigid Segments:7
Chemical Properties
Molecular Weight:389.444
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.31
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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