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Chemical ID: 4105087
Chemical ID:
4105087
Name [?]:
N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-phenyl-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1)c2c(sc(n2)NC(=O)C=Cc3ccccc3)C
InChi [?]:
InChI=1/C20H18N2OS/c1-14-8-11-17(12-9-14)19-15(2)24-20(22-19)21-18(23)13-10-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,21,20,22,19,23,3,7,17,4,6,16,2,9,18,5,14,8,11,13,12,15,10/E:(4,5)(6,7)(8,9)(11,12)/rA:24nCCCCCCCCCSCNNCOCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;s8d11;s11;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.793 |
Area: | 540.082 |
Solvation: | -2.70905 |
Coulombic: | -29.4215 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 5 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 334.436 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.39 |
LogP (Chemaxon): | 5.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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