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Chemical ID: 5817939
Chemical ID:
5817939
Name [?]:
2-cyano-3-[4-(o-tolylmethoxy)phenyl]-N-phenyl-prop-2-enamide
SMILES [?]:
Cc1ccccc1COc2ccc(cc2)C=C(C#N)C(=O)Nc3ccccc3
InChi [?]:
InChI=1/C24H20N2O2/c1-18-7-5-6-8-20(18)17-28-23-13-11-19(12-14-23)15-21(16-25)24(27)26-22-9-3-2-4-10-22/h2-15H,17H2,1H3,(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,26,25,27,4,5,3,6,24,28,12,14,11,15,16,18,8,2,13,7,17,23,10,20,19,22,21,9/E:(3,4)(9,10)(11,12)(13,14)/rA:28nCCCCCCCCOCCCCCCCCCNCONCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;t18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H20N2O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9033 |
Area: | 615.81 |
Solvation: | -3.49194 |
Coulombic: | -35.6011 |
Bond Count [?]
All: | 30 |
Single: | 18 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 368.428 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.98 |
LogP (Chemaxon): | 5.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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