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Chemical ID: 7143275
Chemical ID:
7143275
Name [?]:
N-[4-[5-[(4-bromophenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc(cc3)Br)S2
InChi [?]:
InChI=1/C18H14BrN3O2S/c1-11(23)20-14-6-8-15(9-7-14)21-18-22-17(24)16(25-18)10-12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,19,23,20,22,6,10,7,9,17,2,18,21,5,8,16,14,12,24,4,11,13,3,15,25/E:(2,3)(4,5)(6,7)(8,9)/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;s21;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H14BrN3O2S |
All Atoms: | 39 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.3003 |
Area: | 576.7 |
Solvation: | -3.11721 |
Coulombic: | -48.6311 |
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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