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Chemical ID: 6156902
Chemical ID:
6156902
Name [?]:
2,3-diphenyl-N-(4-pyridyl)prop-2-enamide
SMILES [?]:
c1ccc(cc1)C=C(c2ccccc2)C(=O)Nc3ccncc3
InChi [?]:
InChI=1/C20H16N2O/c23-20(22-18-11-13-21-14-12-18)19(17-9-5-2-6-10-17)15-16-7-3-1-4-8-16/h1-15H,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,12,2,6,11,13,3,5,10,14,19,23,20,22,7,4,9,18,8,15,21,17,16/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:23nCCCCCCCCCCCCCCCONCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;s9;d10;s11;d12;d9s13;s8;d15;s15;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0309 |
Area: | 500.479 |
Solvation: | -2.48108 |
Coulombic: | -29.2784 |
Bond Count [?]
All: | 25 |
Single: | 14 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 300.354 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.87 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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