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Chemical ID: 4155290
Chemical ID:
4155290
Name [?]:
N-benzyl-3-(4-benzyloxy-3-methoxy-phenyl)-prop-2-enamide
SMILES [?]:
COc1cc(ccc1OCc2ccccc2)C=CC(=O)NCc3ccccc3
InChi [?]:
InChI=1/C24H23NO3/c1-27-23-16-19(12-14-22(23)28-18-21-10-6-3-7-11-21)13-15-24(26)25-17-20-8-4-2-5-9-20/h2-16H,17-18H2,1H3,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,26,14,25,27,13,15,24,28,12,16,6,17,7,18,4,22,10,5,23,11,8,3,19,21,20,2,9/E:(4,5)(6,7)(8,9)(10,11)/rA:28nCOCCCCCCOCCCCCCCCCCONCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s5;w17;s18;d19;s19;s21;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H23NO3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.86071 |
Area: | 630.119 |
Solvation: | -5.89226 |
Coulombic: | -39.3105 |
Bond Count [?]
All: | 30 |
Single: | 19 |
Double: | 11 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 373.444 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.68 |
LogP (Chemaxon): | 4.58 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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