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Chemical ID: 4399575
Chemical ID:
4399575
Name [?]:
N,3-bis(4-methoxyphenyl)-2-phenyl-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3ccc(cc3)OC
InChi [?]:
InChI=1/C23H21NO3/c1-26-20-12-8-17(9-13-20)16-22(18-6-4-3-5-7-18)23(25)24-19-10-14-21(27-2)15-11-19/h3-16H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,27,14,13,15,12,16,5,7,21,25,4,8,22,24,9,6,11,20,3,23,10,17,19,18,2,26/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27nCOCCCCCCCCCCCCCCCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;s11;d12;s13;d14;d11s15;s10;d17;s17;s19;s20;d21;s22;d23;d20s24;s23;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.93448 |
Area: | 578.514 |
Solvation: | -4.52837 |
Coulombic: | -38.9531 |
Bond Count [?]
All: | 29 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 359.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 4.95 |
LogP (Chemaxon): | 4.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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