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Chemical ID: 5603863
Chemical ID:
5603863
Name [?]:
N-(4-dimethylaminophenyl)-3-(5-phenyl-2-furyl)-prop-2-enamide
SMILES [?]:
CN(C)c1ccc(cc1)NC(=O)C=Cc2ccc(o2)c3ccccc3
InChi [?]:
InChI=1/C21H20N2O2/c1-23(2)18-10-8-17(9-11-18)22-21(24)15-13-19-12-14-20(25-19)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,25,6,8,5,9,16,14,17,13,20,7,4,15,18,11,10,2,12,19/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:25nCNCCCCCCCNCOCCCCCCOCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;d11;s11;w13;s14;d15;s16;d17;s15s18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O2 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.42385 |
Area: | 542.027 |
Solvation: | -4.12683 |
Coulombic: | -34.7698 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 332.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.13 |
LogP (Chemaxon): | 4.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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