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Chemical ID: 7143285
Chemical ID:
7143285
Name [?]:
4-methyl-3-[4-oxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-2-yl]amino-benzoic acid
SMILES [?]:
Cc1ccc(cc1NC2=NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2)C(=O)O
InChi [?]:
InChI=1/C21H20N2O6S/c1-11-5-6-13(20(25)26)10-14(11)22-21-23-19(24)17(30-21)9-12-7-15(27-2)18(29-4)16(8-12)28-3/h5-10H,1-4H3,(H,25,26)(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,22,26,24,3,4,20,16,14,6,2,15,5,7,19,17,13,18,11,28,9,8,10,12,29,30,21,25,23,27/E:(2,3)(7,8)(15,16)(25,26)(27,28)/rA:30nCCCCCCCNCNCOCCCCCCCCOCOCOCSCOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s10;d11;s11;w13;s14;s15;d16;s17;d18;d15s19;s19;s21;s18;s23;s17;s25;s9s13;s5;d28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H20N2O6S |
All Atoms: | 50 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.15948 |
Area: | 626.638 |
Solvation: | -7.50647 |
Coulombic: | -76.9265 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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