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Chemical ID: 7143283
Chemical ID:
7143283
Name [?]:
N-[4-[4-oxo-5-[(3,4,5-trimethoxyphenyl)methylene]thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3cc(c(c(c3)OC)OC)OC)S2
InChi [?]:
InChI=1/C21H21N3O5S/c1-12(25)22-14-5-7-15(8-6-14)23-21-24-20(26)18(30-21)11-13-9-16(27-2)19(29-4)17(10-13)28-3/h5-11H,1-4H3,(H,22,25)(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,25,29,27,6,10,7,9,23,19,17,2,18,5,8,22,20,16,21,14,12,4,11,13,3,15,24,28,26,30/E:(2,3)(5,6)(7,8)(9,10)(16,17)(27,28)/rA:30nCCONCCCCCCNCNCOCCCCCCCCOCOCOCS/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;s20;s28;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21N3O5S |
All Atoms: | 51 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.24125 |
Area: | 642.644 |
Solvation: | -7.82485 |
Coulombic: | -68.2081 |
Bond Count [?]
All: | 32 |
Single: | 22 |
Double: | 10 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 1.53 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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