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Chemical ID: 6216406
Chemical ID:
6216406
Name [?]:
N-(5-acetyl-4-phenyl-thiazol-2-yl)-3-phenyl-prop-2-enamide
SMILES [?]:
CC(=O)c1c(nc(s1)NC(=O)C=Cc2ccccc2)c3ccccc3
InChi [?]:
InChI=1/C20H16N2O2S/c1-14(23)19-18(16-10-6-3-7-11-16)22-20(25-19)21-17(24)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,17,23,16,18,22,24,15,19,21,25,13,12,2,14,20,10,5,4,7,9,6,3,11,8/E:(4,5)(6,7)(8,9)(10,11)/rA:25nCCOCCNCSNCOCCCCCCCCCCCCCC/rB:s1;d2;s2;d4;s5;d6;s4s7;s7;s9;d10;s10;w12;s13;s14;d15;s16;d17;d14s18;s5;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2O2S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1415 |
Area: | 542.868 |
Solvation: | -3.43022 |
Coulombic: | -36.6012 |
Bond Count [?]
All: | 27 |
Single: | 16 |
Double: | 11 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 348.419 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.53 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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