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Chemical ID: 4395402
Chemical ID:
4395402
Name [?]:
3-(4-methoxyphenyl)-2-phenyl-N-(p-tolyl)prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)C(=Cc2ccc(cc2)OC)c3ccccc3
InChi [?]:
InChI=1/C23H21NO2/c1-17-8-12-20(13-9-17)24-23(25)22(19-6-4-3-5-7-19)16-18-10-14-21(26-2)15-11-18/h3-16H,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,20,24,23,25,22,26,3,7,14,18,4,6,15,17,12,2,13,21,5,16,11,9,8,10,19/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:26nCCCCCCCNCOCCCCCCCCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s16;s19;s11;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H21NO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.8261 |
Area: | 567.442 |
Solvation: | -3.35995 |
Coulombic: | -32.1668 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 343.418 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.47 |
LogP (Chemaxon): | 5.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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