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Chemical ID: 6266814
Chemical ID:
6266814
Name [?]:
N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-phenyl-prop-2-enamide
SMILES [?]:
CCOc1ccc(cc1)c2c(sc(n2)NC(=O)C=Cc3ccccc3)C
InChi [?]:
InChI=1/C21H20N2O2S/c1-3-25-18-12-10-17(11-13-18)20-15(2)26-21(23-20)22-19(24)14-9-16-7-5-4-6-8-16/h4-14H,3H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,26,2,23,22,24,21,25,19,6,8,5,9,18,11,20,7,4,16,10,13,15,14,17,3,12/E:(5,6)(7,8)(10,11)(12,13)/rA:26nCCOCCCCCCCCSCNNCOCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;w18;s19;s20;d21;s22;d23;d20s24;s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6539 |
Area: | 584.031 |
Solvation: | -3.94691 |
Coulombic: | -36.0677 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.462 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.29 |
LogP (Chemaxon): | 5.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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