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Chemical ID: 4394666
Chemical ID:
4394666
Name [?]:
N-(4-chlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-prop-2-enamide
SMILES [?]:
COc1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3ccc(cc3)Cl
InChi [?]:
InChI=1/C22H18ClNO2/c1-26-20-13-7-16(8-14-20)15-21(17-5-3-2-4-6-17)22(25)24-19-11-9-18(23)10-12-19/h2-15H,1H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,5,7,22,24,21,25,4,8,9,6,11,23,20,3,10,17,26,19,18,2/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:26nCOCCCCCCCCCCCCCCCONCCCCCCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H18ClNO2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.1708 |
Area: | 576.011 |
Solvation: | -3.22949 |
Coulombic: | -32.8157 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.837 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.66 |
LogP (Chemaxon): | 5.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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