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Chemical ID: 7143337
Chemical ID:
7143337
Name [?]:
N-[4-(5-cinnamylidene-4-oxo-thiazol-2-yl)aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=CC=Cc3ccccc3)S2
InChi [?]:
InChI=1/C20H17N3O2S/c1-14(24)21-16-10-12-17(13-11-16)22-20-23-19(25)18(26-20)9-5-8-15-6-3-2-4-7-15/h2-13H,1H3,(H,21,24)(H,22,23,25)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,18,21,25,19,17,6,10,7,9,2,20,5,8,16,14,12,4,11,13,3,15,26/E:(3,4)(6,7)(10,11)(12,13)/rA:26nCCONCCCCCCNCNCOCCCCCCCCCCS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;w18;s19;s20;d21;s22;d23;d20s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H17N3O2S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.8479 |
Area: | 606.792 |
Solvation: | -3.32192 |
Coulombic: | -49.7601 |
Bond Count [?]
All: | 28 |
Single: | 17 |
Double: | 11 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.67 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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Chemical Mix | Source | External ID | Descriptor | Value |
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