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Chemical ID: 6877525
Chemical ID:
6877525
Name [?]:
N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-(4-methoxyphenyl)-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1C)c2csc(n2)NC(=O)C=Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C21H20N2O2S/c1-14-4-8-17(12-15(14)2)19-13-26-21(22-19)23-20(24)11-7-16-5-9-18(25-3)10-6-16/h4-13H,1-3H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,8,26,3,20,24,18,4,21,23,17,6,10,2,7,19,5,22,9,15,12,13,14,16,25,11/E:(5,6)(9,10)/rA:26nCCCCCCCCCCSCNNCOCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O2S |
All Atoms: | 46 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3625 |
Area: | 582.143 |
Solvation: | -4.19106 |
Coulombic: | -35.254 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 364.462 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.89 |
LogP (Chemaxon): | 5.72 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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