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Chemical ID: 7143267
Chemical ID:
7143267
Name [?]:
N-[4-[5-[(3-bromophenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3cccc(c3)Br)S2
InChi [?]:
InChI=1/C18H14BrN3O2S/c1-11(23)20-14-5-7-15(8-6-14)21-18-22-17(24)16(25-18)10-12-3-2-4-13(19)9-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,6,10,7,9,23,17,2,18,22,5,8,16,14,12,24,4,11,13,3,15,25/E:(5,6)(7,8)/rA:25nCCONCCCCCCNCNCOCCCCCCCCBrS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14BrN3O2S |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.214 |
Area: | 572.772 |
Solvation: | -3.10529 |
Coulombic: | -48.6293 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.98 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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