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Chemical ID: 4937220
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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