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Chemical ID: 7142917
Chemical ID:
7142917
Name [?]:
N-[4-[5-[(2-methoxyphenyl)methylene]-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccccc3OC)S2
InChi [?]:
InChI=1/C19H17N3O3S/c1-12(23)20-14-7-9-15(10-8-14)21-19-22-18(24)17(26-19)11-13-5-3-4-6-16(13)25-2/h3-11H,1-2H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,25,20,21,19,22,6,10,7,9,17,2,18,5,8,23,16,14,12,4,11,13,3,15,24,26/E:(7,8)(9,10)/rA:26nCCONCCCCCCNCNCOCCCCCCCCOCS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s23;s24;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17N3O3S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.2583 |
Area: | 583.989 |
Solvation: | -4.34146 |
Coulombic: | -55.4632 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.1 |
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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