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Chemical ID: 5601531
Chemical ID:
5601531
Name [?]:
N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-phenyl-prop-2-enamide
SMILES [?]:
Cc1ccc(cc1C)c2csc(n2)NC(=O)C=Cc3ccccc3
InChi [?]:
InChI=1/C20H18N2OS/c1-14-8-10-17(12-15(14)2)18-13-24-20(21-18)22-19(23)11-9-16-6-4-3-5-7-16/h3-13H,1-2H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,8,22,21,23,20,24,3,18,4,17,6,10,2,7,19,5,9,15,12,13,14,16,11/E:(4,5)(6,7)/rA:24nCCCCCCCCCCSCNNCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;s11;s9d12;s12;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H18N2OS |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7605 |
Area: | 544.007 |
Solvation: | -2.83962 |
Coulombic: | -28.9808 |
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: | 4.97 |
LogP (Chemaxon): | 5.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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