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Chemical ID: 7142946
Chemical ID:
7142946
Name [?]:
N-[4-[5-[(3,4-dimethoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(c(c3)OC)OC)S2
InChi [?]:
InChI=1/C20H19N3O4S/c1-12(24)21-14-5-7-15(8-6-14)22-20-23-19(25)18(28-20)11-13-4-9-16(26-2)17(10-13)27-3/h4-11H,1-3H3,(H,21,24)(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,25,19,6,10,7,9,20,23,17,2,18,5,8,21,22,16,14,12,4,11,13,3,15,26,24,28/E:(5,6)(7,8)/rA:28nCCONCCCCCCNCNCOCCCCCCCCOCOCS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s26;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19N3O4S |
All Atoms: | 47 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.76612 |
Area: | 619.593 |
Solvation: | -6.72371 |
Coulombic: | -61.0687 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.75 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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